SCHEMBL976946

SCHEMBL976946

CN(C)c1ccc(C(N)=O)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HCAR3 P49019 2/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRM5 P41594 1/20 0.42
HPGDS O60760 2/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MKNK1 Q9BUB5 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
Hydrochloric Acid SCHEMBL2674517 0.98 NNMT (0.53) NNMTSMN1; SMN2HCAR3KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL5009849 0.98 NNMT (0.53) NNMTSMN1; SMN2HCAR3KDM4EL3MBTL1
SCHEMBL25569690 0.85 NNMT (0.52) NNMTSMN1; SMN2HCAR3KDM4EL3MBTL1
SCHEMBL12734188 0.84 HCAR3 (0.49) SMN1; SMN2HCAR3KDM4EL3MBTL1HPGDS
SCHEMBL3464465 0.84 NNMT (0.50) NNMTSMN1; SMN2HCAR3KDM4EL3MBTL1
SCHEMBL185127 0.82 HCAR3 (0.65) HCAR3KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL3132351 0.81 NNMT (0.47) NNMTSMN1; SMN2HCAR3KDM4EL3MBTL1
SCHEMBL1778519 0.81 HCAR3 (0.46) HCAR3KDM4EHPGDSALDH1A1ALOX15
SCHEMBL4299808 0.81 CYP1A2 (0.40) NNMTSMN1; SMN2HCAR3KDM4EHPGDS
SCHEMBL18433935 0.80 HCAR3 (0.55) NNMTSMN1; SMN2HCAR3KDM4EL3MBTL1

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338558-A1 USE OF COLLAGEN BINDING DOMAINS TO DELIVER PRODUCTS TO SKIN FABIUS BIOTECHNOLOGY (US) 2021-11-04 US claimed
WO-2020068665-A1 USE OF COLLAGEN BINDING DOMAINS TO DELIVER PRODUCTS TO SKIN FABIUS BIOTECHNOLOGY (US) 2020-04-02 WO claimed
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP claimed
US-8524774-B1 Topical two step polytherapy for treatment of psoriasis and other skin disorders CYMBIOTICS, INC. (US) 2013-09-03 US claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP claimed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US claimed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US claimed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP claimed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US claimed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-4141977-A Treatment of psoriasis with 6-substituted nicotinamides, 2-substituted pyrazinamides and closely related compounds YU RUEY J 1979-02-27 US claimed
WO-2024217344-A1 NAV1.8 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2024-10-24 WO disclosed
CN-118324743-A Nav1.8 inhibitor and preparation method and application thereof 中国科学院上海药物研究所 2024-07-12 CN disclosed
US-11433025-B2 Oil foamable carriers and formulations VYNE THERAPEUTICS INC. (US) 2022-09-06 US disclosed
US-4141977-A Treatment of psoriasis with 6-substituted nicotinamides, 2-substituted pyrazinamides and closely related compounds YU RUEY J 1979-02-27 US disclosed
US-4067975-A Treatment of psoriasis with 6-aminonicotinamide and thionicotinamide YU RUEY J 1978-01-10 US disclosed
US-4067975-A Treatment of psoriasis with 6-aminonicotinamide and thionicotinamide YU RUEY J 1978-01-10 US 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 (6 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S NNMT 959/4885SMN1; SMN2 4671/4885HCAR3 472/4885
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP NNMT 708/4885SMN1; SMN2 4462/4885HCAR3 1471/4885
US-11433025-B2 Oil foamable carriers and formulations LIPA, PTGER1, TTPA NNMT 4760/4885SMN1; SMN2 260/4885HCAR3 4205/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H NNMT 1088/4885SMN1; SMN2 4299/4885HCAR3 4399/4885
US-20210338558-A1 USE OF COLLAGEN BINDING DOMAINS TO DELIVER PRODUCTS TO SKIN COL14A1, COL2A1, COL1A1 NNMT 4848/4885SMN1; SMN2 2228/4885HCAR3 811/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NNMT 2977/4885SMN1; SMN2 4705/4885HCAR3 1649/4885

“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.