SCHEMBL3980063

SCHEMBL3980063

COC(=O)C(Cc1ccc(Br)cc1)NC(=O)c1cc(Cl)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 4/20 0.54
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
PYGL P06737 1/20 0.48
ERAP2 Q6P179 3/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
CDK2 P24941 4/20 0.44
ERAP1 Q9NZ08 1/20 0.44
NOS2 P35228 2/20 0.43
CYP3A4 P08684 1/20 0.43
UGCG Q16739 1/20 0.43
KDR P35968 1/20 0.43
TACR3 P29371 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3979425 1.00 LNPEP (0.54) LNPEPHDAC1HDAC6PYGLERAP2
SCHEMBL5926278 0.88 PYGL (0.55) LNPEPHDAC1HDAC6PYGLCDK2
SCHEMBL3995396 0.88 HDAC1 (0.54) LNPEPHDAC1HDAC6PYGLABCG2
SCHEMBL3972847 0.83 HDAC1 (0.55) LNPEPHDAC1HDAC6ABCG2CDK2
SCHEMBL5926818 0.83 CDK2 (0.54) LNPEPHDAC1HDAC6PYGLERAP2
SCHEMBL3989387 0.83 CDK2 (0.54) LNPEPHDAC1HDAC6PYGLERAP2
SCHEMBL3995599 0.83 PSMB5 (0.51) LNPEPHDAC1HDAC6PYGLERAP2
SCHEMBL3974510 0.83 PYGL (0.50) LNPEPHDAC1HDAC6PYGLCDK2
SCHEMBL3974514 0.83 PYGL (0.50) LNPEPHDAC1HDAC6PYGLCDK2
SCHEMBL3975886 0.82 HDAC1 (0.53) LNPEPHDAC1HDAC6PYGLERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US disclosed
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 EP disclosed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO 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 (4 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 LNPEP 1470/4885HDAC1 1637/4885HDAC6 456/4885
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 LNPEP 1652/4885HDAC1 1936/4885HDAC6 2949/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 LNPEP 1330/4885HDAC1 656/4885HDAC6 518/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 LNPEP 788/4885HDAC1 831/4885HDAC6 1067/4885

“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.