SCHEMBL14565802

SCHEMBL14565802

COC(=O)CCc1ccc(NCc2ccc(OC)cc2)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
F2RL1 P55085 1/20 0.47
HDAC1 Q13547 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ASPH Q12797 1/20 0.46
RIOX2 Q8IUF8 1/20 0.46
KDM8 Q8N371 1/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
NCF1 P14598 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CD38 P28907 1/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 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
SCHEMBL11754772 0.84 KDM4E (0.49) FFAR1HDAC1KDM4EASPHRIOX2
SCHEMBL11890771 0.80 HDAC1 (0.53) HDAC1KDM4EASPHRIOX2KDM8
SCHEMBL12004538 0.80 GAA (0.54) HDAC1KDM4EASPHRIOX2KDM8
SCHEMBL1445627 0.78 F2RL1 (0.73) FFAR1F2RL1MAPTALDH1A1LMNA
SCHEMBL12061580 0.78 HDAC1 (0.51) FFAR1HDAC1KDM4EASPHRIOX2
SCHEMBL18046156 0.76 ALDH1A1 (0.53) F2RL1HDAC1KDM4EMAPTALDH1A1
SCHEMBL9683167 0.76 HTT (0.51) MAPTNCF1GAALMNANPC1
SCHEMBL9683331 0.76 MAP2K4 (0.52) HDAC1MAPTNCF1GAALMNA
SCHEMBL9725455 0.76 VNN1 (0.57) HDAC1KDM4EASPHRIOX2KDM8
SCHEMBL3949236 0.76 GAA (0.57) ALDH1A1GAALMNAL3MBTL1SIRT2

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-20070066606-A1 Benzylbenzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 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-20070066606-A1 Benzylbenzimidazolyl derivatives TIE1, KDR, FLT1 FFAR1 792/4885F2RL1 205/4885HDAC1 2170/4885

“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.