SCHEMBL5653453

SCHEMBL5653453

c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LDHA P00338 2/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
ASIC3 Q9UHC3 2/20 0.47
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
PBRM1 Q86U86 1/20 0.47
MIF P14174 1/20 0.47
DYRK1A Q13627 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
TOP1 P11387 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 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
SCHEMBL23300442 0.87 MEN1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2IDO1
SCHEMBL18015292 0.86 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2LDHA
SCHEMBL21202848 0.84 IDO1 (0.44) NPC1RAB9AKDM4ESMN1; SMN2LDHA
SCHEMBL31414052 0.84 NPC1 (0.66) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL117744 0.83 LDHA (0.64) NPC1RAB9AKDM4ESMN1; SMN2LDHA
SCHEMBL28610327 0.83 NPC1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2LDHA
SCHEMBL29604379 0.83 LDHA (0.64) NPC1RAB9AKDM4ESMN1; SMN2LDHA
SCHEMBL25100841 0.82 NPC1 (0.41) NPC1RAB9AKDM4ESMN1; SMN2LDHA
SCHEMBL18015464 0.82 MAPK1 (0.55) NPC1RAB9AKDM4ESMN1; SMN2LDHA
SCHEMBL14988841 0.81 LDHA (0.62) NPC1RAB9AKDM4ESMN1; SMN2LDHA

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
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 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-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 NPC1 1137/4885RAB9A 939/4885KDM4E 4732/4885

“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.