SCHEMBL5376137

SCHEMBL5376137

CCOC(=O)c1nnnn1-c1ccc(F)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 9/20 0.39
HPGD P15428 4/20 0.39
USP2 O75604 2/20 0.39
HSD17B10 Q99714 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 1/20 0.38
AR P10275 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL3831656 0.80 ALDH1A1 (0.50) SMN1; SMN2POLBALDH1A1KDM4EHPGD
SCHEMBL3836461 0.79 SMN1; SMN2 (0.44) SMN1; SMN2POLBALDH1A1KDM4EHPGD
SCHEMBL5390665 0.78 TP53 (0.47) SMN1; SMN2POLBALDH1A1KDM4EMAPT
SCHEMBL5383271 0.77 ALDH1A1 (0.48) SMN1; SMN2POLBALDH1A1KDM4EHPGD
SCHEMBL7230459 0.77 MAPT (0.51) SMN1; SMN2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL5390662 0.76 TP53 (0.48) POLBALDH1A1KDM4EMAPTTP53
SCHEMBL8163621 0.76 LMNA (0.49) SMN1; SMN2POLBMAPK1ALDH1A1HSD17B10
SCHEMBL6765900 0.75 KDM4E (0.53) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL5383266 0.75 HTT (0.46) SMN1; SMN2POLBALDH1A1KDM4EHPGD
SCHEMBL7478866 0.75 ALOX5 (0.41) SMN1; SMN2POLBALDH1A1KDM4EAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
US-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders LAM PATRICK Y 2006-02-23 US disclosed
US-6958356-B2 Guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-10 US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 US disclosed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP disclosed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 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 (3 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-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders SERPINC1, F7, SERPINE1 SMN1; SMN2 2551/4885POLB 4044/4885MAPK1 1770/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 SMN1; SMN2 2412/4885POLB 3279/4885MAPK1 1784/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI SMN1; SMN2 1867/4885POLB 3637/4885MAPK1 1068/4885

“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.