SCHEMBL17128024

SCHEMBL17128024

CCOC(=O)/C=C\C1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
ATM Q13315 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
SCN4A P35499 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PRMT1 Q99873 1/20 0.41

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
SCHEMBL6745644 0.79 HDAC8 (0.64) SIGMAR1ALDH1A1KDM4E
SCHEMBL6745643 0.79 HDAC8 (0.64) SIGMAR1ALDH1A1KDM4E
SCHEMBL124103 0.77 L3MBTL1 (0.55) L3MBTL1ATMSIGMAR1ALDH1A1MEN1
SCHEMBL6726679 0.76 SIGMAR1 (0.50) SIGMAR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2858521 0.76 L3MBTL1 (0.54) L3MBTL1ATMSIGMAR1ALDH1A1MEN1
SCHEMBL2089277 0.76 SIGMAR1 (0.53) SIGMAR1ALDH1A1LMNA
SCHEMBL8944547 0.75 SIGMAR1 (0.56) SIGMAR1ALDH1A1LMNA
SCHEMBL29713943 0.75 SIGMAR1 (0.56) SIGMAR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL29257059 0.75 SIGMAR1 (0.52) SIGMAR1ALDH1A1LMNA
SCHEMBL5563432 0.74 SIGMAR1 (0.47) SIGMAR1ALDH1A1LMNA

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 7 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-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 L3MBTL1 2398/4885ATM 757/4885SIGMAR1 3478/4885

“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.