SCHEMBL4754401

SCHEMBL4754401

COc1cc(C(=O)N(CC(C)=Cc2ccc(F)cc2F)C(C)c2ncc[nH]2)ccc1OC(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 9/20 0.47
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
F2RL1 P55085 2/20 0.35
MET P08581 1/20 0.33
NAMPT P43490 1/20 0.33
AMY1A P0DUB6 1/20 0.33

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
SCHEMBL4754403 0.76 ACKR3 (0.54) ACKR3NPC1RAB9ANAMPT
SCHEMBL4754398 0.76 ACKR3 (0.54) ACKR3NPC1RAB9ANAMPT
SCHEMBL4700612 0.73 ACKR3 (0.48) ACKR3KDM4EHTT
SCHEMBL4700265 0.73 ACKR3 (0.47) ACKR3KDM4EHTT
SCHEMBL4700267 0.73 ACKR3 (0.47) ACKR3KDM4EHTT
SCHEMBL5576818 0.73 ACKR3 (0.57) ACKR3KDM4EHTT
SCHEMBL14601239 0.73 ACKR3 (0.57) ACKR3KDM4EHTT
SCHEMBL14624285 0.72 ALDH1A1 (0.49) ACKR3KDM4EHTTNPC1POLB
SCHEMBL4700202 0.70 ACKR3 (0.54) ACKR3KDM4EHTT
SCHEMBL5575509 0.70 ACKR3 (0.54) ACKR3KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909575-A2 SUBSTITUTED N-CINNAMYL BENZAMIDES ChemoCentryx Inc (US) 2008-04-16 EP disclosed
US-20070021484-A1 Substituted N-cinnamyl benzamides CHEMOCENTRYX, INC. (US) 2007-01-25 US disclosed
WO-2007002842-A2 SUBSTITUTED N-CINNAMYL BENZAMIDES CHEMOCENTRYX, INC. (US) 2007-01-04 WO 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-20070021484-A1 Substituted N-cinnamyl benzamides BRDT, BCCIP, NAT10 ACKR3 4393/4885KDM4E 1129/4885HTT 3596/4885

“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.