SCHEMBL6097773

SCHEMBL6097773

CC(=O)C(N)c1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
BRD4 O60885 1/20 0.36
KIF11 P52732 1/20 0.36
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM1 Q13255 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX5 P09917 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HSD17B1 P14061 1/20 0.31

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
SCHEMBL3535148 0.88 BRD4 (0.32) BRD4HSD17B10TDP1CYP2C9MEN1
SCHEMBL9777377 0.74 F2 (0.42)
SCHEMBL22255197 0.73 STAT3 (0.47) BRD4ALDH1A1HPGDTDP1MEN1
SCHEMBL4872444 0.73 MAPT (0.41) BRD4KDM4EALDH1A1TDP1MEN1
SCHEMBL18133692 0.73 STAT3 (0.47) BRD4ALDH1A1HPGDTDP1MEN1
SCHEMBL11548068 0.73 ESR1 (0.52) BRD4KDM4EALDH1A1TDP1CYP2C9
SCHEMBL8279353 0.73 ESR1 (0.52) BRD4KDM4EALDH1A1TDP1CYP2C9
SCHEMBL455038 0.71 HSD17B1 (0.61) BRD4KIF11HPGDMEN1KMT2A
SCHEMBL8526255 0.71 MEN1 (0.31) DPP4HSD17B10TDP1CYP2C9MEN1
SCHEMBL27397292 0.71 HSD17B10 (0.47) KDM4EALDH1A1HPGDHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
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 claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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 PTGS2 377/4885BRD4 2371/4885KIF11 3454/4885

“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.