SCHEMBL479855

SCHEMBL479855

Cc1cc(CN)cnc1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.56
NOS1 P29475 4/20 0.56
NOS2 P35228 4/20 0.56
CPB1 P15086 3/20 0.42
CPB2 Q96IY4 3/20 0.42
MAP4K4 O95819 1/20 0.42
DHFR P00374 1/20 0.36
UHRF1 Q96T88 1/20 0.35
ROCK1 Q13464 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FYN P06241 1/20 0.34
PRKCI P41743 1/20 0.33

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 SCHEMBL7412960 0.98 NOS3 (0.54) NOS3NOS1NOS2CPB1CPB2
Hydrochloric Acid SCHEMBL6810408 0.98 NOS3 (0.54) NOS3NOS1NOS2CPB1CPB2
SCHEMBL10268101 0.83 NOS3 (0.56) NOS3NOS1NOS2CPB1CPB2
SCHEMBL19050129 0.80 PRMT5 (0.38) NOS3NOS1NOS2DHFRUHRF1
Hydrochloric Acid SCHEMBL30804004 0.78 PRMT5 (0.37) NOS3NOS1NOS2DHFRKDM4E
Hydrochloric Acid SCHEMBL21193756 0.78 PRMT5 (0.37) NOS3NOS1NOS2DHFRKDM4E
SCHEMBL1585264 0.77 MAP4K4 (0.58) NOS3NOS1NOS2MAP4K4KDM4E
SCHEMBL21278154 0.77 LOXL2 (0.39) NOS3NOS1NOS2
SCHEMBL1912301 0.77 LOX (0.39) UHRF1POLB
Hydrochloric Acid SCHEMBL14801170 0.75 LOX (0.38) UHRF1

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-20250122225-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-04-17 US disclosed
WO-2025076476-A2 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-04-10 WO disclosed
CN-102448939-A Nicotinamide derivatives, their preparation and their therapeutic use as anticancer agents SANOFI AVENTIS 2012-05-09 CN disclosed
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US disclosed
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US disclosed
EP-2411367-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
EP-2411368-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109123-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2010109122-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
CN-101808996-A Nicotinamide derivatives, their preparation and their use in therapeutics SANOFI AVENTIS 2010-08-18 CN disclosed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 WO disclosed
EP-1581499-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2005-10-05 EP disclosed
WO-2004056775-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
EP-1050534-B1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2001-12-05 EP disclosed
US-6288077-B1 2-AZABICYCLO(3.1.0)HEXANE-1,2-DICARBOXYLIC AMIDE OR 2-AZABICYCLO(4.1.0)HEPTANE-1,2-DICARBOXYLIC AMIDE DERIVATIVE; TRYPSIN-LIKE SERINE PROTEASE INHIBITOR; ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-09-11 US disclosed
EP-1050534-A1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-11-08 EP 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-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 NOS3 860/4885NOS1 708/4885NOS2 672/4885
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NNT NOS3 990/4885NOS1 1424/4885NOS2 1201/4885
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 NOS3 398/4885NOS1 635/4885NOS2 428/4885
US-20250122225-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, SPINT2, SERPINB1 NOS3 2623/4885NOS1 2776/4885NOS2 1869/4885

“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.