SCHEMBL5926435

SCHEMBL5926435

COC(=O)CC(NC(=O)c1cccc(Br)c1)c1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ POLB P06746 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ ROCK2 O75116 2/20 0.47
▸ ROCK1 Q13464 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ITGB3 P05106 1/20 0.45
▸ ITGAV P06756 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
SCHEMBL5308017 0.91 MEN1 (0.58) MEN1KMT2APOLBALDH1A1ROCK2
SCHEMBL14198862 0.78 MEN1 (0.63) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL27781112 0.78 MEN1 (0.63) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL12226572 0.78 MEN1 (0.63) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL3994922 0.78 CTSA (0.56) KMT2AALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL5691953 0.78 CTSB (0.48) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL5692537 0.76 MEN1 (0.49) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL7403501 0.76 ROCK2 (0.53) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL5700932 0.75 MEN1 (0.60) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL5700925 0.75 MEN1 (0.60) MEN1KMT2APOLBCYP3A4CYP2C19

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 MEN1 1372/4885KMT2A 3655/4885POLB 3571/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 MEN1 3448/4885KMT2A 2112/4885POLB 3935/4885

“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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