SCHEMBL19001089

SCHEMBL19001089

C[C@@H]1CN(c2ccc(C(C)(C)C)c(C(=O)O)n2)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
RBP4 P02753 1/20 0.41
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KIF18A Q8NI77 2/20 0.37
NPC1 O15118 1/20 0.37
PRKDC P78527 1/20 0.36
RAB9A P51151 1/20 0.36
BTK Q06187 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL19012903 1.00 KMT2A (0.43) KMT2ARBP4ALDH1A1KDM4EGAA
SCHEMBL19001093 0.85 RBP4 (0.44) KMT2ARBP4ALDH1A1KDM4EGAA
SCHEMBL19001242 0.85 RBP4 (0.44) KMT2ARBP4ALDH1A1KDM4EGAA
SCHEMBL18436949 0.82 RBP4 (0.51) KMT2ARBP4ALDH1A1KDM4EGAA
SCHEMBL16834788 0.82 RBP4 (0.51) KMT2ARBP4ALDH1A1KDM4EGAA
SCHEMBL19012699 0.80 KMT2A (0.43) KMT2ARBP4ALDH1A1KDM4EGAA
SCHEMBL19012905 0.79 KMT2A (0.48) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL19001147 0.79 KMT2A (0.48) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL19012703 0.77 ALDH1A1 (0.35) KMT2ARBP4ALDH1A1KDM4EGAA
SCHEMBL23794489 0.73 KMT2A (0.44) KMT2AALDH1A1KDM4EGAAHPGD

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-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 KMT2A 325/4885RBP4 2117/4885ALDH1A1 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.