SCHEMBL18436500

SCHEMBL18436500

Cc1cccc2c(=O)n(C)cc(Cl)c12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.51
BRD9 Q9H8M2 1/20 0.41
BRD7 Q9NPI1 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL18436503 0.84 BRD4 (0.61) BRD4BRD9BRD7L3MBTL1
SCHEMBL24556526 0.79 BRD4 (0.51) BRD4BRD9BRD7POLBL3MBTL1
SCHEMBL19869850 0.79 BRD4 (0.51) BRD4BRD9BRD7L3MBTL1CYP1A2
SCHEMBL147830 0.77 BRD4 (0.51) BRD4BRD9BRD7L3MBTL1CYP1A2
SCHEMBL17559093 0.71 KAT2B (0.47) ALDH1A1HPGD
SCHEMBL19377004 0.71 KAT2B (0.47) BRD4GAAHPGD
SCHEMBL26262798 0.70 BRD4 (0.45) BRD4BRD9BRD7L3MBTL1CYP1A2
SCHEMBL24556465 0.70 NQO2 (0.49) BRD4BRD9BRD7POLBGAA
SCHEMBL147301 0.70 BRD4 (0.67) BRD4BRD9BRD7POLBL3MBTL1
SCHEMBL10005836 0.68 BRD4 (0.43) BRD4BRD9BRD7L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH BRD4 24/4885BRD9 205/4885BRD7 29/4885

“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.