SCHEMBL17075812

SCHEMBL17075812

Nc1ccc(OCc2cccc(Br)c2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.58
MAOB P27338 3/20 0.51
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP10 Q53GL7 1/20 0.45
CCR5 P51681 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SLC6A4 P31645 2/20 0.43
HTR2A P28223 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
SCHEMBL24791951 0.85 MRGPRX4 (0.68) MRGPRX4MAOBSMN1; SMN2ALDH1A1CCR5
SCHEMBL30054184 0.85 MRGPRX4 (0.68) MRGPRX4MAOBSMN1; SMN2ALDH1A1CCR5
SCHEMBL6827590 0.85 MRGPRX4 (0.64) MRGPRX4MAOBIDO1AGXTSLC6A4
SCHEMBL29826082 0.84 MRGPRX4 (0.65) MRGPRX4MAOBIDO1AGXTSMN1; SMN2
SCHEMBL14855309 0.83 CCR5 (0.52) MRGPRX4MAOBIDO1SMN1; SMN2CCR5
SCHEMBL632895 0.83 MRGPRX4 (0.57) MRGPRX4MAOBSMN1; SMN2NPC1MAPT
SCHEMBL22180758 0.82 MRGPRX4 (0.58) MRGPRX4SMN1; SMN2NPC1TP53MAPT
SCHEMBL156718 0.82 MAOB (0.61) MRGPRX4MAOBIDO1AGXT
SCHEMBL12269218 0.82 MAOB (0.51) MRGPRX4MAOBIDO1AGXTSMN1; SMN2
SCHEMBL29388015 0.82 MAOB (0.61) MRGPRX4MAOBIDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-09-17 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-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS TPP1, MKI67, PIGO MRGPRX4 3036/4885MAOB 1396/4885IDO1 584/4885

“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.