SCHEMBL4450641

SCHEMBL4450641

Nc1ccc(-c2ccc(N)c(-c3ccc4ccccc4c3)c2-c2ccccc2)c(-c2ccccc2)c1-c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
GSTP1 P09211 1/20 0.43
IKBKB O14920 1/20 0.43
CYP1A2 P05177 3/20 0.42
DHFR P00374 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SOS1 Q07889 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL259164 0.95 GSTP1 (0.47) CYP1A1CYP1B1ADORA2AADORA1HSD17B1
SCHEMBL35312 0.87 CYP1A2 (0.52) CYP1A1CYP1B1ADORA2AADORA1HSD17B1
SCHEMBL28127187 0.85 ALDH1A1 (0.47) CYP1A1CYP1B1ADORA2AADORA1GSTP1
SCHEMBL1720546 0.83 HSD17B10 (0.48) ADORA2AIKBKBCYP1A2KDM4EALDH1A1
SCHEMBL297637 0.83 ALDH1A1 (0.48) ADORA2AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL28235937 0.82 ESR1 (0.38) CYP1A1CYP1B1ADORA2AADORA1HSD17B1
SCHEMBL4002627 0.82 GSTP1 (0.53) CYP1A1CYP1B1ADORA2AADORA1HSD17B1
SCHEMBL741769 0.82 ALDH1A1 (0.44) CYP1A1CYP1B1ADORA2AADORA1HSD17B1
SCHEMBL1901543 0.81 GSTP1 (0.48) CYP1A1CYP1B1ADORA2AADORA1HSD17B1
Naphthalene SCHEMBL3868843 0.81 HSD17B10 (0.48) CYP1A1CYP1B1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598010-B2 Triarylamine dimer derivative having amorphous phase ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-06 US disclosed
US-20050154234-A1 Triarylamine dimer derivative having amorphous phase ORIENT CHEMICAL IND., LTD. (JP) 2005-07-14 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 (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-20050154234-A1 Triarylamine dimer derivative having amorphous phase NAT1, AHR, ARNT CYP1A1 73/4885CYP1B1 117/4885ADORA2A 428/4885

“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.