SCHEMBL5074696

SCHEMBL5074696

Cc1cc(OCCN2CCOCC2)cc(N)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
NPC1 O15118 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
THRB P10828 1/20 0.45
MAPK14 Q16539 1/20 0.43

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
SCHEMBL7980214 0.92 KDM4E (0.65) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL7981029 0.80 NPC1 (0.64) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL2953028 0.79 KDM4E (0.89) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL27289111 0.77 NPC1 (0.56) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL2946059 0.76 NPC1 (0.71) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL1605290 0.76 NPC1 (0.67) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3381012 0.76 KDM4E (0.64) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL30511318 0.76 KDM4E (0.64) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL1605174 0.76 KDM4E (0.74) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL30692373 0.74 ALDH1A1 (0.56) KDM4ENPC1SMN1; SMN2ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381598-A4 NOVEL TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-19 EP disclosed
US-7312215-B2 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312215-B2 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312215-B2 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7232826-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-19 US disclosed
US-7232826-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-19 US disclosed
US-7232826-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-19 US disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
EP-1545529-A2 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
EP-1545543-A2 NOVEL TYROSINE KINASES INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
WO-2005021510-A2 BENZIMIDAZOLE C-2 HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054655-A1 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
US-20040092514-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-05-13 US disclosed
WO-2004031401-A2 NOVEL TYROSINE KINASES INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
WO-2004030620-A2 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 US disclosed
EP-1381598-A1 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-21 EP disclosed
WO-2002079192-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 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-20050054655-A1 Benzimidazole C-2 heterocycles as kinase inhibitors CDK2, ERBB2, ABL1 KDM4E 1275/4885NPC1 3938/4885SMN1; SMN2 4288/4885
US-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER KDM4E 1067/4885NPC1 2798/4885SMN1; SMN2 4227/4885
US-20040092514-A1 Novel tyrosine kinase inhibitors ABL1, ERBB2, ROS1 KDM4E 1185/4885NPC1 3285/4885SMN1; SMN2 4297/4885

“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.