SCHEMBL4568291

SCHEMBL4568291

Cc1cc2cc(-c3ccccc3)[nH]c2cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
MAPT P10636 6/20 0.50
KDM4E B2RXH2 6/20 0.50
CYP19A1 P11511 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
CYP1A1 P04798 2/20 0.46
HPGD P15428 4/20 0.44
F2 P00734 3/20 0.44
HSD17B10 Q99714 2/20 0.44
GFER P55789 1/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL4568269 0.93 NPC1 (0.53) NPC1RAB9AMAPTKDM4ECYP19A1
SCHEMBL4568294 0.82 CYP19A1 (0.58) NPC1RAB9AMAPTKDM4ECYP19A1
SCHEMBL12124985 0.82 NPC1 (0.75) NPC1RAB9AMAPTKDM4ECYP19A1
SCHEMBL3702479 0.80 NPC1 (0.53) NPC1RAB9AMAPTKDM4ECYP19A1
SCHEMBL4568270 0.80 CYP1A1 (0.52) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4568274 0.80 NPC1 (0.58) NPC1RAB9AMAPTKDM4ECYP19A1
SCHEMBL4568259 0.80 KDM4E (0.57) NPC1RAB9AMAPTKDM4ECYP19A1
SCHEMBL4568262 0.80 NPC1 (0.49) NPC1RAB9AMAPTKDM4ECYP19A1
SCHEMBL4568299 0.78 CYP1A1 (0.42) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL3709293 0.78 KDM4E (0.59) NPC1RAB9AMAPTKDM4ECYP19A1

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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 (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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R NPC1 1150/4885RAB9A 1646/4885MAPT 3199/4885

“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.