SCHEMBL114000

SCHEMBL114000

Cc1cc(-c2ccccc2)sc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 2/20 0.47
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
MAPT P10636 8/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
GAA P10253 5/20 0.41
RAB9A P51151 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17066346 0.85 HSD17B1 (0.47) HSD17B1HSD17B2ESR1ESR2SMN1; SMN2
SCHEMBL18390779 0.82 HSD17B1 (0.61) HSD17B1HSD17B2ESR1ESR2MAPT
SCHEMBL12669255 0.82 ESR1 (0.47) HSD17B1HSD17B2ESR1ESR2MAPT
SCHEMBL10205948 0.80 ESR1 (0.66) HSD17B1HSD17B2ESR1ESR2MAPT
SCHEMBL10205947 0.80 PLA2G10 (0.49) HSD17B1HSD17B2ESR1ESR2MAPT
SCHEMBL13140465 0.79 ALDH1A1 (0.46) HSD17B1HSD17B2MAPTKDM4ESMN1; SMN2
SCHEMBL15886341 0.79 ASIC3 (0.45) HSD17B1HSD17B2KDM4ESMN1; SMN2RAB9A
SCHEMBL6232939 0.78 MAPT (0.56) MAPTKDM4ELMNAPKMRXFP1
SCHEMBL20764832 0.78 HSD17B1 (0.44) HSD17B1HSD17B2ESR1ESR2MAPT
SCHEMBL22946430 0.78 ESR1 (0.44) HSD17B1HSD17B2ESR1ESR2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-11332462-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-05-17 US disclosed
US-11332462-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-05-17 US disclosed
WO-2022067100-A2 PLK1 POLO BOX DOMAIN INHIBITOR AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-03-31 WO disclosed
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-09-03 US disclosed
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-09-03 US disclosed
US-10556890-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-02-11 US disclosed
US-10556890-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-02-11 US disclosed
US-10454042-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2019-10-22 US disclosed
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-20070097469-A1 Methods for making holographic data storage articles GENERAL ELECTRIC COMPANY (US) 2007-05-03 US disclosed
US-20070097469-A1 Methods for making holographic data storage articles GENERAL ELECTRIC COMPANY (US) 2007-05-03 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
US-20070010457-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-01-11 US disclosed
US-20070010457-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-01-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GRIN2C, TPMT HSD17B1 970/4885HSD17B2 487/4885ESR1 4312/4885
US-10556890-B2 Heteroaryl compounds and methods of use thereof COMT, GRIN2C, TPMT HSD17B1 970/4885HSD17B2 487/4885ESR1 4312/4885
US-11332462-B2 Heteroaryl compounds and methods of use thereof COMT, GRIN2C, TPMT HSD17B1 970/4885HSD17B2 487/4885ESR1 4312/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG HSD17B1 4424/4885HSD17B2 4285/4885ESR1 4638/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B HSD17B1 1325/4885HSD17B2 1683/4885ESR1 3178/4885
US-20070010457-A1 Caspase inhibitors and uses thereof CASP1, APAF1, TNF HSD17B1 924/4885HSD17B2 1899/4885ESR1 3828/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 HSD17B1 1956/4885HSD17B2 1609/4885ESR1 325/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.