SCHEMBL10178616

SCHEMBL10178616

O=C(Cl)c1ccc(-c2ccccc2S)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.38
MDM4 O15151 3/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MDM2 Q00987 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
TTR P02766 1/20 0.35
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
PLA2G1B P04054 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CCR6 P51684 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
PTPRC P08575 2/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL30876050 0.86 ALDH1A1 (0.43) NPSR1MAPTALDH1A1L3MBTL1HDAC8
SCHEMBL12101146 0.82 TSHR (0.50) MAPTTP53HDAC8TTRPTPRC
SCHEMBL3282326 0.81 MEN1 (0.55) NPSR1MAPTMDM4TP53ALDH1A1
SCHEMBL13348773 0.81 MAPT (0.59) NPSR1MAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5924802 0.78 CYP2A6 (0.56) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL29697586 0.78 BCAT2 (0.47) MAPTALDH1A1L3MBTL1HDAC8HDAC6
SCHEMBL29697585 0.78 BCAT2 (0.47) MAPTALDH1A1L3MBTL1HDAC8HDAC6
SCHEMBL28040744 0.78 ALDH1A1 (0.41) NPSR1MAPTALDH1A1SMN1; SMN2TTR
Anthraquinone SCHEMBL9879416 0.77 KMT2A (0.57) NPSR1MAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4251313 0.77 CA12 (0.49) HDAC8HDAC6MKNK1MKNK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103372285-B Golf DUNLOP SPORTS CO., LTD. (JP) 2016-04-20 CN disclosed
CN-103446723-B Golf DUNLOP SPORTS CO., LTD. (JP) 2015-11-18 CN disclosed
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-7727982-B2 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. (US) 2010-06-01 US disclosed
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. 2009-05-21 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

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

For each of this compound's patents that has machine-readable text (3 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-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders F12, F2, PIGS NPSR1 3322/4885MAPT 2726/4885MDM4 2810/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NPSR1 2795/4885MAPT 4514/4885MDM4 4485/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NPSR1 2795/4885MAPT 4514/4885MDM4 4485/4885

“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.