SCHEMBL19001146

SCHEMBL19001146

CC1O[C@@H](C)CN(C2CCN(C(C)(C)C)CC2)C1=O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19012448 1.00 KDM4E (0.30) KDM4EALDH1A1TP53L3MBTL1KMT2A
SCHEMBL18436086 0.83 CHRM2 (0.35) KDM4EALDH1A1TP53L3MBTL1KMT2A
SCHEMBL18436832 0.83 CHRM2 (0.35) KDM4EALDH1A1TP53L3MBTL1KMT2A
SCHEMBL17128132 0.78 TP53 (0.34) ALDH1A1TP53KMT2A
SCHEMBL18436129 0.78 TP53 (0.34) ALDH1A1TP53KMT2A
SCHEMBL19001264 0.74
SCHEMBL19001061 0.74
SCHEMBL17886861 0.72 ALDH1A1 (0.44) KDM4EALDH1A1TP53L3MBTL1KMT2A
SCHEMBL12563379 0.72 ALDH1A1 (0.44) KDM4EALDH1A1TP53L3MBTL1KMT2A
SCHEMBL17886521 0.72 ALDH1A1 (0.44) KDM4EALDH1A1TP53L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDM4E 415/4885ALDH1A1 892/4885TP53 683/4885

“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.