SCHEMBL17128362

SCHEMBL17128362

COC(=O)c1nc(N2C[C@@H](C)O[C@@H](C)C2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 4/20 0.42
AURKA O14965 1/20 0.41
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE10A Q9Y233 1/20 0.35
ACACB O00763 1/20 0.35
PGR P06401 1/20 0.35
GPR183 P32249 1/20 0.35
SMO Q99835 1/20 0.35

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
SCHEMBL31432220 0.79 ALDH1A1 (0.50) KDM4EKMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL17128364 0.79 KDM4E (0.39) KDM4EKMT2AAURKAALDH1A1L3MBTL1
SCHEMBL31432016 0.79 ALDH1A1 (0.41) KDM4EKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL23794485 0.77 KDM4E (0.48) KDM4EKMT2AAURKAALDH1A1L3MBTL1
SCHEMBL20055968 0.76 CRBN (0.50) KDM4EKMT2AAURKAALDH1A1L3MBTL1
SCHEMBL16834789 0.76 CRBN (0.50) KDM4EKMT2AAURKAALDH1A1L3MBTL1
SCHEMBL31661652 0.75 NPSR1 (0.35) KDM4EKMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL17128158 0.75 KMT2A (0.50) KDM4EKMT2AALDH1A1L3MBTL1GAA
SCHEMBL17128144 0.74 KMT2A (0.57) KDM4EKMT2AAURKAALDH1A1L3MBTL1
SCHEMBL16846259 0.74 KMT2A (0.57) KDM4EKMT2AAURKAALDH1A1L3MBTL1

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 6 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
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 KDM4E 415/4885KMT2A 325/4885AURKA 1007/4885

“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.