SCHEMBL2816017

SCHEMBL2816017

N#CCc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.58
HSD17B10 Q99714 1/20 0.55
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 1/20 0.41
RORC P51449 1/20 0.39

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
SCHEMBL30127086 0.87 HSD17B10 (0.55) VCAM1HSD17B10LMNASMN1; SMN2ALDH1A1
SCHEMBL2816576 0.87 HSD17B10 (0.55) VCAM1HSD17B10LMNASMN1; SMN2ALDH1A1
SCHEMBL30648694 0.80 ALDH1A1 (0.47) VCAM1HSD17B10LMNAALDH1A1KDM4E
SCHEMBL7880816 0.80 ALDH1A1 (0.47) VCAM1HSD17B10LMNAALDH1A1HPGD
SCHEMBL1817832 0.80 ALDH1A1 (0.47) VCAM1HSD17B10LMNAALDH1A1KDM4E
SCHEMBL8819027 0.80 ALDH1A1 (0.58) VCAM1HSD17B10LMNASMN1; SMN2ALDH1A1
SCHEMBL31156760 0.80 ALDH1A1 (0.51) VCAM1HSD17B10LMNAALDH1A1HPGD
SCHEMBL18041455 0.80 ALDH1A1 (0.51) VCAM1HSD17B10LMNAALDH1A1HPGD
SCHEMBL4612729 0.80 VCAM1 (0.54) VCAM1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL3999119 0.80 ALDH1A1 (0.51) VCAM1SMN1; SMN2ALDH1A1HPGDMAPT

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
CN-1863774-B Compounds and compositions as protein kinase inhibitors IRM LLC 2010-12-15 CN disclosed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
EP-2097374-B1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI AVENTIS (FR) 2010-06-09 EP disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN disclosed
US-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-03-18 US disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
EP-2097374-A2 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS Sanofi-Aventis (FR) 2009-09-09 EP disclosed
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed
EP-1673343-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-10 EP disclosed
WO-2008087278-A2 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI-AVENTIS (FR) 2008-07-24 WO disclosed
CN-1863774-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-11-15 CN disclosed
WO-2006082452-A1 OPTICALLY ACTIVE DIARYL ACETIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION SANOFI-AVENTIS (FR) 2006-08-10 WO disclosed
WO-2006079857-A1 DIARYL ACETIC ACID DERIVATIVES AND THE PREPARATION THEREOF SANOFI-AVENTIS (FR) 2006-08-03 WO disclosed
WO-2006079857-A1 DIARYL ACETIC ACID DERIVATIVES AND THE PREPARATION THEREOF SANOFI-AVENTIS (FR) 2006-08-03 WO disclosed
EP-1673343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-28 EP disclosed
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-08-25 US disclosed
WO-2005034869-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-21 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 (3 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG VCAM1 2995/4885HSD17B10 3064/4885LMNA 1819/4885
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors FYN, LCK, SRC VCAM1 2321/4885HSD17B10 4667/4885LMNA 4817/4885
US-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AVPR2, AVPR1A, AVPR1B VCAM1 365/4885HSD17B10 1915/4885LMNA 3010/4885

“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.