SCHEMBL10178112

SCHEMBL10178112

COC(=O)/C=C\C(=O)Nc1ccc(-c2ccccc2S)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MAPT P10636 7/20 0.49
LMNA P02545 5/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
PARP1 P09874 1/20 0.47
PARP15 Q460N3 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
LPAR2 Q9HBW0 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
THRB P10828 2/20 0.45
HPGD P15428 2/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPK1 P28482 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45

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
SCHEMBL10178102 0.88 MMP1 (0.58) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL12134633 0.83 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4ELPAR2
SCHEMBL20129482 0.81 ALDH1A1 (0.66) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL20129016 0.81 ALDH1A1 (0.66) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL20129844 0.81 ALDH1A1 (0.66) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL14380924 0.80 F10 (0.59)
SCHEMBL10876947 0.79 LMNA (0.67) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL9746937 0.79 LMNA (0.67) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL9746933 0.79 LMNA (0.67) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL890827 0.77 F10 (0.45) ALDH1A1MAPTLMNAGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 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-7727981-B2 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. (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 (2 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 ALDH1A1 2137/4885MAPT 2726/4885LMNA 204/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 ALDH1A1 2339/4885MAPT 4514/4885LMNA 218/4885

“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.