SCHEMBL5926375

SCHEMBL5926375

COC(=O)CC(NC(=O)c1cc(Cl)ccc1N)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ THRB P10828 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP26A1 O43174 2/20 0.43
▸ TACR3 P29371 1/20 0.42
▸ CTSA P10619 5/20 0.41
▸ FADS1 O60427 1/20 0.40
▸ GCK P35557 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ UTS2R Q9UKP6 1/20 0.39

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
SCHEMBL3995400 0.88 MEN1 (0.50) POLBMEN1KMT2ATHRBTP53
SCHEMBL5926281 0.87 TACR3 (0.53) CYP26A1TACR3CTSAUTS2R
SCHEMBL3989390 0.83 TACR3 (0.44) THRBTP53TACR3CTSAFADS1
SCHEMBL3972848 0.83 POLB (0.53) POLBMEN1KMT2ATACR3CTSA
SCHEMBL5926521 0.80 SERPINE1 (0.41) MEN1KMT2ATHRBTP53CYP26A1
SCHEMBL3979330 0.80 POLB (0.43) POLBMEN1KMT2ATHRBTP53
SCHEMBL3993040 0.80 ALDH1A1 (0.43) POLBMEN1KMT2ATHRBTP53
SCHEMBL5926851 0.80 TACR3 (0.44) THRBTP53CYP26A1TACR3CTSA
SCHEMBL3979415 0.80 TACR3 (0.44) THRBTP53CYP26A1TACR3CTSA
SCHEMBL6503530 0.79 DCAF1 (0.45) TACR3CTSAALDH1A1UTS2R

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-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-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 — — EP 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 (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-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 POLB 3571/4885MEN1 1372/4885KMT2A 3655/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 POLB 3935/4885MEN1 3448/4885KMT2A 2112/4885

“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.

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