SCHEMBL404971

SCHEMBL404971

COc1ccc(Cn2cc3c(n2)c(=O)[nH]c2ccc(C)cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.55
MARK4 Q96L34 1/20 0.49
ADORA1 P30542 5/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAT2A P31153 1/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL14323999 0.92 ADORA3 (0.58) ADORA3MARK4ADORA1NPC1RAB9A
SCHEMBL406009 0.89 ADORA3 (0.55) ADORA3MARK4ADORA1MAT2APOLB
SCHEMBL14323731 0.88 ADORA3 (0.54) ADORA3MARK4ADORA1KDM4EALDH1A1
SCHEMBL463580 0.85 ADORA3 (0.51) ADORA3MARK4ADORA1MAT2AMAPT
SCHEMBL14323629 0.85 ADORA3 (0.76) ADORA3ADORA1KDM4EALDH1A1MAT2A
SCHEMBL23037523 0.82 ADORA3 (0.54) ADORA3ADORA1KDM4EALDH1A1MAT2A
SCHEMBL15652719 0.79 PTGS2 (0.53) ADORA3ADORA1KDM4EMAT2AMEN1
SCHEMBL4100979 0.78 ADORA3 (0.47) ADORA3ADORA1NPC1RAB9AKDM4E
SCHEMBL404931 0.76 POLB (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL23037496 0.75 ADORA3 (0.47) ADORA3ADORA1KDM4EALDH1A1MAT2A

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADORA3 277/4885MARK4 2472/4885ADORA1 273/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADORA3 277/4885MARK4 2472/4885ADORA1 273/4885

“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.