SCHEMBL17128366

SCHEMBL17128366

CCOC(=O)C(=CNc1ccccc1Br)C(=O)OCC

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.74
GAA P10253 2/20 0.74
CYP3A4 P08684 2/20 0.66
CYP2D6 P10635 2/20 0.66
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 2/20 0.57
MAPT P10636 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPSR1 Q6W5P4 4/20 0.53
KDM4E B2RXH2 3/20 0.53
CYP1A2 P05177 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
STAT1 P42224 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL14845103 0.93 DHODH (0.64) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL14845111 0.93 DHODH (0.64) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL11198142 0.90 DHODH (0.68) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL15054732 0.89 CYP3A4 (0.75) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL15054596 0.86 CYP3A4 (0.64) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL10864509 0.85 DHODH (1.00) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL10860624 0.84 MEN1 (0.60) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL10860150 0.84 DHODH (0.76) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL10862825 0.84 CYP3A4 (0.59) DHODHGAACYP3A4CYP2D6MEN1
SCHEMBL10860162 0.84 DHODH (0.76) DHODHGAACYP3A4CYP2D6MEN1

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 7 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
WO-2019025341-A1 QUINOLINE DERIVATIVES FOR TREATING INFECTIONS WITH HELMINTHS BAYER ANIMAL HEALTH GMBH (DE) 2019-02-07 WO 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 DHODH 302/4885GAA 2952/4885CYP3A4 3822/4885

“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.