SCHEMBL19001040

SCHEMBL19001040

CC1CN(c2nc(C(C)(C)C)cs2)CC(C)O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
OGA O60502 1/20 0.41
ALDH1A1 P00352 5/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 4/20 0.36
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
RAB9A P51151 2/20 0.34
GAK O14976 1/20 0.34

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
SCHEMBL19001122 1.00 LMNA (0.59) LMNAOGAALDH1A1HRH3CYP1A2
SCHEMBL18436994 0.82 L3MBTL1 (0.41) LMNAOGAALDH1A1HRH3CYP1A2
SCHEMBL18436330 0.82 L3MBTL1 (0.41) LMNAOGAALDH1A1HRH3CYP1A2
SCHEMBL14144924 0.78 KMT2A (0.47) LMNAALDH1A1HRH3CYP1A2CYP3A4
SCHEMBL1934299 0.78 ALDH1A1 (0.40) LMNAALDH1A1HRH3CYP1A2CYP3A4
SCHEMBL1934298 0.78 ALDH1A1 (0.40) LMNAALDH1A1HRH3CYP1A2CYP3A4
SCHEMBL18436785 0.78 HRH3 (0.38) LMNAALDH1A1HRH3CYP1A2CYP3A4
SCHEMBL19012765 0.75 OGA (0.41) LMNAOGAALDH1A1HRH3CYP1A2
SCHEMBL21336753 0.75 HRH3 (0.36) LMNAALDH1A1HRH3CYP1A2CYP3A4
SCHEMBL19012345 0.75 OGA (0.43) LMNAOGAALDH1A1HRH3CYP1A2

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 3 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

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 LMNA 4670/4885OGA 2474/4885ALDH1A1 892/4885

“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.