SCHEMBL17128156

SCHEMBL17128156

Clc1c(I)cnc2c(Br)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ ENPP3 O14638 1/20 0.44
▸ ENPP1 P22413 1/20 0.44
▸ CLK1 P49759 2/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ APP P05067 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL2766777 0.79 ALDH1A1 (0.48) ALDH1A1ENPP3ENPP1KMT2AMAPT
SCHEMBL17128052 0.79 KDM4E (0.39) ALDH1A1ENPP3ENPP1CLK1CDK5
SCHEMBL31716247 0.79 KDM4E (0.39) ALDH1A1ENPP3ENPP1CLK1CDK5
SCHEMBL18436625 0.79 CCR1 (0.38) ALDH1A1ENPP3ENPP1CLK1CDK5
SCHEMBL8130885 0.75 KDM4E (0.48) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL17128058 0.75 MMP1 (0.37) ALDH1A1CLK1CDK5CDK5R1KMT2A
SCHEMBL31716112 0.75 MMP1 (0.37) ALDH1A1CLK1CDK5CDK5R1KMT2A
SCHEMBL22118228 0.73 ALDH1A1 (0.48) ALDH1A1ENPP3ENPP1KMT2AMAPT
SCHEMBL22118238 0.73 ENPP3 (0.40) ALDH1A1ENPP3ENPP1KMT2AKDM4E
SCHEMBL20138998 0.73 HAVCR2 (0.52) ALDH1A1ENPP3ENPP1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 — — EP disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 — — US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 — — US disclosed
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
WO-2015144001-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS 南京明德新药研发股份有限公司 2015-10-01 — — 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH ALDH1A1 892/4885ENPP3 2255/4885ENPP1 2337/4885

“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.

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