SCHEMBL15947005

SCHEMBL15947005

COC(=O)c1nc(C)oc1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.50
PTGS1 P23219 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
LMNA P02545 1/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 2/20 0.43
PKM P14618 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HCRTR1 O43613 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
SCHEMBL4738984 0.86 GABRA2 (0.51) PTGS2PTGS1SMN1; SMN2RAB9ANPC1
SCHEMBL31163918 0.85 NPSR1 (0.39) PTGS2PTGS1SMN1; SMN2RAB9ANPC1
SCHEMBL14705893 0.84 SMN1; SMN2 (0.45) PTGS1SMN1; SMN2RAB9ANPC1CASP3
SCHEMBL1398803 0.83 PTGS2 (0.50) PTGS2PTGS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14705891 0.82 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1CASP3SENP8
SCHEMBL8174471 0.82 HIPK4 (0.50) SMN1; SMN2RAB9ANPC1CASP3SENP8
SCHEMBL1969297 0.81 ALDH1A1 (0.42) SMN1; SMN2RAB9ANPC1LMNAKDM4E
SCHEMBL15507362 0.81 RAB9A (0.47) SMN1; SMN2RAB9ANPC1LMNAKDM4E
SCHEMBL6004119 0.77 NPC1 (0.52) PTGS2PTGS1SMN1; SMN2RAB9ANPC1
SCHEMBL6506172 0.77 TARBP2 (0.58) SMN1; SMN2RAB9ANPC1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 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 (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-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 PTGS2 3631/4885PTGS1 4293/4885SMN1; SMN2 3035/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 PTGS2 3631/4885PTGS1 4293/4885SMN1; SMN2 3035/4885

“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.