SCHEMBL17128052

SCHEMBL17128052

Oc1c(I)cnc2c(Br)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ USP2 O75604 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ HSP90AA1 P07900 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39

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
SCHEMBL31716247 1.00 KDM4E (0.39) KDM4ESMN1; SMN2MEN1USP2TP53
SCHEMBL17128156 0.79 ALDH1A1 (0.44) KDM4ESMN1; SMN2MEN1USP2TP53
SCHEMBL18436625 0.79 CCR1 (0.38) KDM4ESMN1; SMN2HSP90AA1HTTALDH1A1
SCHEMBL11701895 0.75 DYRK1A (0.41) KDM4ESMN1; SMN2MEN1USP2TP53
SCHEMBL17128058 0.75 MMP1 (0.37) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31716112 0.75 MMP1 (0.37) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL22118253 0.73 ALDH1A1 (0.48) KDM4ESMN1; SMN2MEN1HSP90AA1HTT
SCHEMBL28311761 0.73 KDM4E (0.45) KDM4EMMP1MMP9MMP13ADAM17
SCHEMBL17127916 0.72 PLAU (0.36) KDM4ESMN1; SMN2MEN1USP2TP53
SCHEMBL22118247 0.72 MMP1 (0.36) KDM4ESMN1; SMN2MEN1USP2TP53

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 4 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-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
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 415/4885SMN1; SMN2 4029/4885MEN1 613/4885

“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.

Send feedback