SCHEMBL4301398

SCHEMBL4301398

O=Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
MAPT P10636 4/20 0.52
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 4/20 0.47
HTT P42858 1/20 0.47
PAX8 Q06710 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
KCNJ1 P48048 1/20 0.45
PRMT6 Q96LA8 1/20 0.39
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL16180356 0.81 NPC1 (0.45) NPC1MAPTRAB9AALDH1A1KDM4E
SCHEMBL30518891 0.81 NPC1 (0.45) NPC1MAPTRAB9AALDH1A1KDM4E
SCHEMBL30999699 0.79 NPC1 (0.54) NPC1MAPTRAB9AKDM4EMAPK1
SCHEMBL21023945 0.79 NPC1 (0.54) NPC1MAPTRAB9AKDM4EMAPK1
SCHEMBL16180341 0.78 KCNJ1 (0.49) NPC1MAPTRAB9AALDH1A1MAPK1
SCHEMBL24484298 0.77 NPC1 (0.52) NPC1MAPTRAB9AKDM4EMAPK1
SCHEMBL12804825 0.77 NPC1 (0.56) NPC1MAPTRAB9AKDM4EMAPK1
SCHEMBL8259527 0.77 NPC1 (0.58) NPC1MAPTRAB9AALDH1A1KDM4E
SCHEMBL24409109 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1POLBNPSR1
SCHEMBL15299351 0.77 NPC1 (0.52) NPC1MAPTRAB9AKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507533-B2 Glucagon receptor modulators PFIZER INC. (US) 2013-08-13 US disclosed
US-8507533-B2 Glucagon receptor modulators PFIZER INC. (US) 2013-08-13 US disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 US disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 US disclosed
US-20090270407-A1 FUNGICIDAL ISOXAZOLIDINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-10-29 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-20090270407-A1 FUNGICIDAL ISOXAZOLIDINES XDH, CYP4X1, CYP1B1 NPC1 655/4885MAPT 3942/4885RAB9A 428/4885
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 NPC1 1530/4885MAPT 4254/4885RAB9A 1825/4885

“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.