SCHEMBL5387299

SCHEMBL5387299

NC(=O)c1cc(N)ccc1/C=C/c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.49
▸ MAOA P21397 2/20 0.49
▸ MAOB P27338 2/20 0.49
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.45
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ THRB P10828 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ YWHAG P61981 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ HNF4A P41235 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
SCHEMBL5387303 1.00 CYP19A1 (0.49) CYP19A1MAOAMAOBSIRT2CYP1B1
SCHEMBL6933530 0.82 CYP19A1 (0.44) CYP19A1MAOAMAOBCYP1B1MAPT
SCHEMBL6933534 0.82 CYP19A1 (0.44) CYP19A1MAOAMAOBCYP1B1MAPT
SCHEMBL31678976 0.81 SIRT2 (0.57) SIRT2MAPTKDM4EHSD17B10HTR2A
SCHEMBL2037764 0.81 SIRT2 (0.57) SIRT2MAPTKDM4EHSD17B10HTR2A
SCHEMBL3639133 0.81 SIRT2 (0.57) SIRT2MAPTKDM4EHSD17B10HTR2A
SCHEMBL5383763 0.80 SIRT2 (0.54) CYP19A1MAOAMAOBSIRT2MAPT
SCHEMBL5383759 0.80 SIRT2 (0.54) CYP19A1MAOAMAOBSIRT2MAPT
SCHEMBL27518377 0.79 CYP19A1 (0.56) CYP19A1MAOAMAOBSIRT2MAPT
SCHEMBL27558526 0.79 BCL2L1 (0.52) CYP19A1MAOAMAOBCYP1B1MAPT

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 12 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-6965036-B2 Intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-11-15 — — US disclosed
US-6958356-B2 Guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 — — US disclosed
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 — — EP disclosed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 — — US disclosed
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-01 — — 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 (4 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 CYP19A1 3294/4885MAOA 777/4885MAOB 215/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 CYP19A1 2182/4885MAOA 224/4885MAOB 108/4885
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors TFPI, SERPINC1, F11 CYP19A1 1077/4885MAOA 274/4885MAOB 196/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI CYP19A1 1337/4885MAOA 255/4885MAOB 164/4885

“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.

Send feedback