SCHEMBL3107571

SCHEMBL3107571

COC(=O)c1cc(-c2ccc(F)nc2)oc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
EDNRA P25101 1/20 0.40
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
DGAT1 O75907 1/20 0.39
POLB P06746 1/20 0.38
FUCA1 P04066 1/20 0.38
AXL P30530 1/20 0.38

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
SCHEMBL4184070 0.84 ALDH1A1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3101392 0.84 HDAC6 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3091048 0.82 SLC6A4 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3111952 0.78 NR4A1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL28630958 0.77 NR4A2 (0.50) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPK1
SCHEMBL1597664 0.76 RAB9A (0.50) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3102333 0.76 ALDH1A1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3914366 0.76 NPC1 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2665747 0.76 ALDH1A1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3101093 0.76 CFTR (0.50) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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 (1 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR NPC1 3994/4885RAB9A 3790/4885ALDH1A1 3963/4885

“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.