SCHEMBL6288879

SCHEMBL6288879

COC(=O)c1cc(-c2cccc(C#N)c2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.47
MAPT P10636 3/20 0.44
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
PLAU P00749 1/20 0.41
IDO1 P14902 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41

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
SCHEMBL6283121 0.84 XDH (0.49) USP30SMN1; SMN2RAB9AGRM5ALDH1A1
SCHEMBL20507127 0.81 MAPT (0.56) MAPTTHRBSMN1; SMN2RAB9AALDH1A1
SCHEMBL5293345 0.81 SMN1; SMN2 (0.63) MAPTTHRBSMN1; SMN2RAB9AALDH1A1
SCHEMBL1544560 0.80 MAPT (0.55) USP30MAPTTHRBSMN1; SMN2RAB9A
SCHEMBL214283 0.80 MEN1 (0.49) MAPTTHRBSMN1; SMN2RAB9AALDH1A1
SCHEMBL4451494 0.78 NPC1 (0.60) MAPTSMN1; SMN2RAB9AGRM5POLB
SCHEMBL5486417 0.78 NOTUM (0.56) MAPTTHRBALDH1A1LMNA
SCHEMBL7822720 0.76 PLAU (0.61) PLAU
SCHEMBL13363888 0.76 CYP19A1 (0.51) USP30MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL30516592 0.76 CYP19A1 (0.51) USP30MAPTSMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962935-B2 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors PRUITT JAMES RUSSELL (US) 2004-04-15 US disclosed
US-6569874-B1 Such as 2-acetylamino-4-(3-amidinophenyl)-5-((2'-amino-sulfonyl-(1,1')-biphen-4 -yl)aminocarbonyl)thiazole; for treatment of thromboembolic disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 US disclosed
EP-0946528-B1 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-04-09 EP disclosed
US-6187797-B1 ANTICOAGULANTS; TRYPSINE-LIKE SERINE PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY 2001-02-13 US disclosed
EP-0946528-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028282-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 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 (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-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors F12, XDH, F2 USP30 4031/4885MAPT 4870/4885THRB 3396/4885

“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.