SCHEMBL5383759

SCHEMBL5383759

NNc1ccc(/C=C/c2ccccc2)c(C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.41
▸ SMO Q99835 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ TOP2A P11388 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ HNF4A P41235 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL5383763 1.00 SIRT2 (0.54) SIRT2KDM4EMAPTNPC1RAB9A
SCHEMBL27536776 0.81 SIRT1 (0.52) SIRT2KDM4EMAPTNPC1RAB9A
SCHEMBL5387303 0.80 CYP19A1 (0.49) SIRT2KDM4EMAPTPOLBTDP1
SCHEMBL5387299 0.80 CYP19A1 (0.49) SIRT2KDM4EMAPTPOLBTDP1
SCHEMBL31678976 0.77 SIRT2 (0.57) SIRT2KDM4EMAPTTDP1HTR2A
SCHEMBL3639133 0.77 SIRT2 (0.57) SIRT2KDM4EMAPTTDP1HTR2A
SCHEMBL2037764 0.77 SIRT2 (0.57) SIRT2KDM4EMAPTTDP1HTR2A
SCHEMBL5386667 0.74 NFE2L2 (0.55) MAPTPOLBTDP1ALDH1A1MEN1
SCHEMBL5386664 0.74 NFE2L2 (0.55) MAPTPOLBTDP1ALDH1A1MEN1
SCHEMBL7528948 0.71 KMT2A (0.57) MAPTNPC1RAB9ATDP1SMO

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 SIRT2 3083/4885KDM4E 232/4885MAPT 4546/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 SIRT2 2930/4885KDM4E 396/4885MAPT 4607/4885
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors TFPI, SERPINC1, F11 SIRT2 3116/4885KDM4E 1296/4885MAPT 4561/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI SIRT2 2989/4885KDM4E 1218/4885MAPT 4566/4885

“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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