SCHEMBL2760086

SCHEMBL2760086

O=C(Nc1ccccc1)c1cc2cc(O)ccc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
LMNA P02545 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
TP53 P04637 1/20 0.72
POLB P06746 1/20 0.72
SMAD3 P84022 1/20 0.62
PDGFRB P09619 2/20 0.60
FLT3 P36888 2/20 0.60
PDGFRA P16234 1/20 0.60
ABL1 P00519 1/20 0.59
KIT P10721 1/20 0.59
BCR P11274 1/20 0.59
EGFR P00533 6/20 0.59
PIK3CA P42336 6/20 0.59
NHERF1 O14745 3/20 0.56
SRC P12931 1/20 0.56
RXFP1 Q9HBX9 2/20 0.54
IDO1 P14902 1/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL2735975 0.90 SRC (0.62) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL7208136 0.84 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL29475123 0.84 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL14845689 0.84 TP53 (1.00) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL2735818 0.84 NPC1 (0.71) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL27385788 0.84 NPC1 (0.71) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL31058769 0.84 NHERF1 (0.78) NPC1RAB9ALMNASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL16465542 0.83 NPC1 (0.97) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL30702259 0.82 TP53 (0.54) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL30702268 0.82 TP53 (0.51) NPC1RAB9ALMNASMN1; SMN2TP53

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 US disclosed
US-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 US disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 US disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 US disclosed
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides OAKTREE FUND ADMINISTRATION, LLC 2008-01-03 US disclosed
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides OAKTREE FUND ADMINISTRATION, LLC 2008-01-03 US disclosed
EP-0624575-A1 Substituted indoles and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 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 (2 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 NPC1 3928/4885RAB9A 3134/4885LMNA 4738/4885
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides PTK2B, GRK2, FRK NPC1 696/4885RAB9A 2336/4885LMNA 1898/4885

“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.