SCHEMBL1161997

SCHEMBL1161997

O=C(NCc1cccnc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.75
HTT P42858 4/20 0.72
ALDH1A1 P00352 2/20 0.72
LMNA P02545 2/20 0.72
MAPT P10636 1/20 0.72
USP2 O75604 1/20 0.71
GAA P10253 1/20 0.70
CA2 P00918 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
KEAP1 Q14145 1/20 0.68
MAPK1 P28482 1/20 0.67
KMT2A Q03164 1/20 0.66
MMP13 P45452 1/20 0.65
TRPV1 Q8NER1 1/20 0.65

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
SCHEMBL7082686 0.92 TSHR (0.73) NAMPTHTTALDH1A1LMNAMAPT
SCHEMBL2984197 0.91 NAMPT (0.72) NAMPTHTTALDH1A1LMNAMAPT
SCHEMBL1568226 0.90 ALDH1A1 (0.72) NAMPTHTTALDH1A1LMNAMAPT
SCHEMBL354041 0.90 TSHR (0.76) NAMPTUSP2GAAMAPK1KMT2A
SCHEMBL16286298 0.90 MEN1 (0.81) NAMPTHTTALDH1A1LMNAMAPT
Iodide SCHEMBL15903217 0.89 TSHR (0.74) NAMPTUSP2GAAMAPK1KMT2A
SCHEMBL5257811 0.88 LMNA (0.72) NAMPTHTTALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL11508166 0.88 TSHR (0.72) NAMPTUSP2GAAMAPK1KMT2A
SCHEMBL6569317 0.88 LMNA (0.72) NAMPTHTTALDH1A1LMNAMAPT
SCHEMBL11632041 0.87 MMP13 (0.81) NAMPTHTTALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533904-B Melanocortin subtype-2 receptor (MC 2R) antagonists and uses thereof 克林提克斯医药股份有限公司 2024-10-29 CN claimed
CN-108339551-B Preparation method of novel antibacterial drug linezolid intermediate 扬州虹光生物科技有限公司 2021-05-28 CN claimed
WO-2021102420-A1 INTERFERON SIGNALING AS A CANCER BIOMARKER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 WO claimed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US claimed
EP-2459524-A2 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS Cadila Healthcare Limited (IN) 2012-06-06 EP claimed
WO-2011016050-A2 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS CADILA HEALTHCARE LIMITED (IN) 2011-02-10 WO claimed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US claimed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP claimed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO claimed
JP-2002537391-A 2002-11-05 JP claimed
EP-1155012-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES Cancer Research Ventures Limited (GB) 2001-11-21 EP claimed
WO-2000050417-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER RESEARCH VENTURES LIMITED (GB) 2000-08-31 WO claimed
EP-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 EP claimed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 EP claimed
US-12391647-B2 Benzamide compound and preparation method, use, and pharmaceutical composition thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2025-08-19 US disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-20230099912-A1 BENZAMIDE COMPOUND AND PREPARATION METHOD, USE, AND PHARMACEUTICAL COMPOSITION THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2023-03-30 US disclosed
EP-0559046-A1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-09-08 EP disclosed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 EP disclosed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 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 (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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 NAMPT 3139/4885HTT 2808/4885ALDH1A1 851/4885
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NAPRT, NNMT NAMPT 1/4885HTT 1389/4885ALDH1A1 2101/4885
US-12391647-B2 Benzamide compound and preparation method, use, and pharmaceutical composition thereof JAK2, STAT3, STAT5A NAMPT 478/4885HTT 2176/4885ALDH1A1 635/4885
US-20230099912-A1 BENZAMIDE COMPOUND AND PREPARATION METHOD, USE, AND PHARMACEUTICAL COMPOSITION THEREOF JAK2, STAT3, STAT5A NAMPT 478/4885HTT 2176/4885ALDH1A1 635/4885

“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.