SCHEMBL17127916

SCHEMBL17127916

Oc1c(I)cnc2c(Br)cc(Cl)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ USP2 O75604 3/20 0.34
▸ TP53 P04637 3/20 0.34
▸ HSP90AA1 P07900 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ APP P05067 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL17127915 0.76 SRC (0.33) PLAU
SCHEMBL25205269 0.75 ERN1 (0.35) ERN1HTTGRIN2DGRIN3BGRIN1
SCHEMBL30351121 0.75 ERN1 (0.35) ERN1HTTGRIN2DGRIN3BGRIN1
SCHEMBL17128052 0.72 KDM4E (0.39) PLAUKDM4EMEN1USP2TP53
SCHEMBL31716247 0.72 KDM4E (0.39) PLAUKDM4EMEN1USP2TP53
SCHEMBL9148389 0.72 ERN1 (0.50) PLAUERN1MEN1KMT2ATDP1
SCHEMBL30351059 0.69 KDM4E (0.42) ERN1KDM4EMEN1USP2TP53
SCHEMBL18436647 0.69 KDM4E (0.42) ERN1KDM4EMEN1USP2TP53
SCHEMBL15111036 0.69 NR4A2 (0.43) KDM4EMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL19776057 0.67 PLAU (0.35) PLAUERN1MEN1HTTKMT2A

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 PLAU 4225/4885ERN1 2838/4885KDM4E 415/4885

“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.

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