SCHEMBL696336

SCHEMBL696336

CCOC(=O)CNc1cccc(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
GRK2 P25098 2/20 0.50
ALOX15 P16050 1/20 0.49
SETD7 Q8WTS6 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
HDAC4 P56524 1/20 0.46
MEF2D Q14814 1/20 0.46

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
SCHEMBL9779966 0.87 ALDH1A1 (0.58) ALDH1A1MAPTGRK2NPC1RAB9A
SCHEMBL28069422 0.86 ALOX15 (0.50) ALDH1A1MAPTPDCD1CD274ALOX15
SCHEMBL6159509 0.86 POLB (0.46) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL11355645 0.85 POLB (0.55) ALDH1A1MAPTNPC1SMN1; SMN2POLB
SCHEMBL8113690 0.83 LMNA (0.55) ALDH1A1MAPTGRK2NPC1RAB9A
SCHEMBL16166309 0.82 POLB (0.57) ALDH1A1MAPTGRK2RAB9ASMN1; SMN2
SCHEMBL14632483 0.82 ALDH1A1 (0.51) ALDH1A1MAPTGRK2NPC1RAB9A
SCHEMBL8168563 0.81 MAPT (0.53) ALDH1A1MAPTGRK2MEN1KMT2A
SCHEMBL29860111 0.81 MAPT (0.53) ALDH1A1MAPTGRK2MEN1KMT2A
SCHEMBL11813065 0.80 SETD7 (0.52) ALDH1A1MAPTPDCD1CD274ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250235462-A1 NOVEL CAPSID ASSEMBLY INHIBITORS AM SCIENCES INC (KR) 2025-07-24 US disclosed
EP-4416150-A1 NOVEL CAPSID ASSEMBLY INHIBITORS AM Sciences Inc (KR) 2024-08-21 EP disclosed
CN-118159540-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-06-07 CN disclosed
WO-2023063698-A1 NOVEL CAPSID ASSEMBLY INHIBITORS AM SCIENCES INC (KR) 2023-04-20 WO disclosed
EP-2978750-A2 \"SYNTHESIS OF DABIGATRAN\ USV Limited (IN) 2016-02-03 EP disclosed
WO-2014167577-A2 \"SYNTHESIS OF DABIGATRAN\ USV LIMITED (IN) 2014-10-16 WO disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
CN-1268116-A 3-amidinoaniline derivatives activated blood coagulation factor X inhibitors, and intermediates for producing both KISSEI PHARMACEUTICAL (JP) 2000-09-27 CN disclosed
EP-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 EP disclosed
CN-1246847-A Nitrogen containing heteroaromatics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-03-08 CN disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING 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 (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-20250235462-A1 NOVEL CAPSID ASSEMBLY INHIBITORS ZC3HAV1, GTF3C3, ZC3HAV1L ALDH1A1 4542/4885MAPT 215/4885PDCD1 1994/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 ALDH1A1 727/4885MAPT 3036/4885PDCD1 1888/4885

“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.