SCHEMBL1028539

SCHEMBL1028539

Cc1nnc(-c2ccc(C)c([N+](=O)[O-])c2)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.67
ALDH1A1 P00352 5/20 0.67
LMNA P02545 3/20 0.67
HPGD P15428 2/20 0.67
HTT P42858 2/20 0.67
MAPT P10636 5/20 0.63
RAB9A P51151 4/20 0.63
GAA P10253 1/20 0.60
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
THRB P10828 1/20 0.50
NPC1 O15118 3/20 0.49
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
GSK3B P49841 1/20 0.43
MAPK14 Q16539 1/20 0.43
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL15956987 0.85 LMNA (0.61) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL16454735 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL7190826 0.78 TSHR (0.64) SMN1; SMN2ALDH1A1LMNAMAPTRAB9A
SCHEMBL31587825 0.78 MAPT (1.00) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL23851060 0.78 MAPT (1.00) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL3247152 0.78 MAPT (0.51) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL223767 0.78 MAPT (0.65) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL31302077 0.77 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL11650189 0.77 THRB (0.57) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL17175751 0.77 MAPT (0.81) SMN1; SMN2ALDH1A1LMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed
EP-1618092-B1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-09-22 EP disclosed
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
US-7642257-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-7642257-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-10 US disclosed
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-10 US disclosed
US-7396935-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
US-7396935-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
US-7390810-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-7390810-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-7388009-B2 Heteroaryl-substituted pyrrolo-triazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7388009-B2 Heteroaryl-substituted pyrrolo-triazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 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 (5 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-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAPK6, CDK6, GRK6 SMN1; SMN2 3120/4885ALDH1A1 2758/4885LMNA 3457/4885
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 SMN1; SMN2 345/4885ALDH1A1 180/4885LMNA 3028/4885
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease MAPK1, MAPK3, TNF SMN1; SMN2 2572/4885ALDH1A1 4289/4885LMNA 2312/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 SMN1; SMN2 2462/4885ALDH1A1 600/4885LMNA 2551/4885
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 SMN1; SMN2 4256/4885ALDH1A1 2665/4885LMNA 1208/4885

“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.