SCHEMBL20200083

SCHEMBL20200083

c1ccc(CCc2cccc(-c3ccccn3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.58
HRH3 Q9Y5N1 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2A6 P11509 1/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
HIF1A Q16665 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
DOHH Q9BU89 1/20 0.45

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
SCHEMBL16203112 0.90 FFAR1 (0.53) FFAR1HRH3SMN1; SMN2NPC1RAB9A
SCHEMBL16203110 0.89 FFAR1 (0.52) FFAR1HRH3FAAH
SCHEMBL16203115 0.89 FFAR1 (0.52) FFAR1HRH3FAAH
SCHEMBL1130311 0.86 HRH3 (0.54) FFAR1HRH3SMN1; SMN2CYP2A6CTSL
SCHEMBL1138657 0.86 HRH3 (0.54) FFAR1HRH3SMN1; SMN2NPC1RAB9A
SCHEMBL4472579 0.86 HRH3 (0.54) FFAR1HRH3SMN1; SMN2CYP2A6CTSL
SCHEMBL5266894 0.86 HRH3 (0.54) FFAR1HRH3SMN1; SMN2CYP2A6HIF1A
SCHEMBL1139044 0.86 HRH3 (0.57) FFAR1HRH3SMN1; SMN2CYP2A6CTSL
SCHEMBL17779983 0.85 FFAR1 (0.58) FFAR1HRH3SMN1; SMN2NPC1RAB9A
SCHEMBL16595254 0.83 HRH3 (0.51) FFAR1HRH3CYP2A6CTSLCTSB

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-20180148410-A1 COMPOUNDS AND METHODS FOR TREATING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2018-05-31 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-20180148410-A1 COMPOUNDS AND METHODS FOR TREATING CANCER GLI1, SHH, HRAS FFAR1 1847/4885HRH3 1637/4885SMN1; SMN2 4184/4885

“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.