SCHEMBL20131003

SCHEMBL20131003

CC[C@H](Cl)c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
IDO1 P14902 2/20 0.39
TDO2 P48775 1/20 0.39
ADRA2C P18825 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL18242091 0.82 TP53 (0.52) TP53LMNAHTTIDO1TDO2
SCHEMBL25858165 0.81 TP53 (0.50) TP53LMNAHTTIDO1TDO2
SCHEMBL9373403 0.81 TP53 (0.50) TP53LMNAHTTIDO1TDO2
SCHEMBL7460990 0.79 TP53 (0.48) TP53LMNAHTTIDO1TDO2
SCHEMBL7456749 0.79 TP53 (0.48) TP53LMNAHTTIDO1TDO2
SCHEMBL4069342 0.79 TP53 (0.48) TP53LMNAHTTIDO1TDO2
SCHEMBL2632875 0.79 TP53 (0.59) TP53LMNAHTTIDO1TDO2
SCHEMBL16770543 0.79 TP53 (0.59) TP53LMNAHTTIDO1TDO2
SCHEMBL17069212 0.79 TP53 (0.59) TP53LMNAHTTIDO1TDO2
SCHEMBL16371578 0.78 TP53 (0.47) TP53LMNAHTTIDO1TDO2

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-20180127395-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. 2018-05-10 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-20180127395-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CCR4, CCR1, CCR3 TP53 2492/4885LMNA 4863/4885HTT 4109/4885

“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.