SCHEMBL2759996

SCHEMBL2759996

O=C(Nc1cccc(CO)c1)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 3/20 0.75
PYGL P06737 3/20 0.62
RXFP1 Q9HBX9 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PDPK1 O15530 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2735807 0.87 NPC1 (0.62) NHERF1PYGLRXFP1NPC1RAB9A
SCHEMBL2760002 0.86 PYGL (0.73) NHERF1PYGLRXFP1NPC1RAB9A
SCHEMBL2760043 0.84 FLT3 (0.59) NHERF1PYGLRXFP1NPC1RAB9A
SCHEMBL2735818 0.83 NPC1 (0.71) NHERF1RXFP1NPC1RAB9AMEN1
SCHEMBL2760054 0.83 SRC (0.63) NHERF1PYGLLMNAKDM4EPDPK1
SCHEMBL27336575 0.81 PLD2 (0.61) NHERF1RXFP1NPC1RAB9AMEN1
SCHEMBL2760021 0.81 RXFP1 (0.55) NHERF1PYGLRXFP1NPC1RAB9A
SCHEMBL17327556 0.80 EGFR (0.76) NHERF1RXFP1NPC1RAB9AMEN1
SCHEMBL13406291 0.79 CA1 (0.56) RXFP1NPC1RAB9AMEN1KMT2A
SCHEMBL2735819 0.79 NPC1 (0.62) PYGLRXFP1NPC1RAB9AMEN1

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 12 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-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 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-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 US disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 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
WO-2008002674-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-01-03 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 NHERF1 3053/4885PYGL 530/4885RXFP1 3809/4885
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 NHERF1 2525/4885PYGL 229/4885RXFP1 1776/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 NHERF1 3377/4885PYGL 771/4885RXFP1 4099/4885

“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.