SCHEMBL20200086

SCHEMBL20200086

O=C(Cc1cccc(-c2ccccn2)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
ADORA3 P0DMS8 1/20 0.51
KAT6A Q92794 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CNR1 P21554 1/20 0.47
SRD5A2 P31213 2/20 0.46
KDM4E B2RXH2 2/20 0.45
KDM6B O15054 1/20 0.45
KDM4A O75164 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
WNT3A P56704 2/20 0.44
FAAH O00519 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4688780 0.88 FFAR1 (0.60) FFAR1CTSLCTSBCTSSKAT6A
SCHEMBL1515758 0.82 SRD5A2 (0.61) SRD5A2FAAHMAPTL3MBTL1
SCHEMBL4768334 0.80 KDM4E (0.53) FFAR1CTSLCTSBCTSSKAT6A
SCHEMBL7408937 0.80 FFAR1 (0.49) FFAR1CTSLCTSBCTSSKAT6A
SCHEMBL29800516 0.79 KDM4E (0.69) FFAR1KAT6ACNR1KDM4EKDM6B
SCHEMBL207017 0.79 KDM4E (0.69) FFAR1KAT6ACNR1KDM4EKDM6B
SCHEMBL11633589 0.79 MAPT (0.60) SRD5A2KDM4EMAPTL3MBTL1RAB9A
SCHEMBL22501619 0.78 FFAR1 (0.53) FFAR1CTSLCTSBCTSSKAT6A
SCHEMBL7463211 0.78 FFAR1 (0.50) FFAR1CTSLCTSBCTSSKAT6A
SCHEMBL20200083 0.78 FFAR1 (0.58) FFAR1CTSLCTSBCTSSHRH3

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 1847/4885CTSL 3488/4885CTSB 1941/4885

“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.