SCHEMBL18436994

SCHEMBL18436994

Cc1csc(N2C[C@@H](C)O[C@@H](C)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 1/20 0.39
DPP4 P27487 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OGA O60502 2/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
GAK O14976 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL18436330 1.00 L3MBTL1 (0.41) L3MBTL1ALDH1A1KDM4EGAADPP4
SCHEMBL19001040 0.82 LMNA (0.59) ALDH1A1KDM4EGAAHRH3CYP1A2
SCHEMBL19001122 0.82 LMNA (0.59) ALDH1A1KDM4EGAAHRH3CYP1A2
SCHEMBL18436785 0.81 HRH3 (0.38) L3MBTL1ALDH1A1KDM4EGAAHRH3
SCHEMBL14144924 0.81 KMT2A (0.47) L3MBTL1ALDH1A1KDM4EGAAHRH3
SCHEMBL1934298 0.81 ALDH1A1 (0.40) L3MBTL1ALDH1A1KDM4EGAAHRH3
SCHEMBL1934299 0.81 ALDH1A1 (0.40) L3MBTL1ALDH1A1KDM4EGAAHRH3
SCHEMBL19012765 0.79 OGA (0.41) ALDH1A1KDM4EGAAHRH3CYP1A2
SCHEMBL21336753 0.79 HRH3 (0.36) L3MBTL1ALDH1A1KDM4EGAAHRH3
SCHEMBL19012345 0.79 OGA (0.43) L3MBTL1ALDH1A1KDM4EGAAHRH3

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 5 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

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 2398/4885ALDH1A1 892/4885KDM4E 415/4885

“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.