SCHEMBL19001050

SCHEMBL19001050

C[C@@H]1CN(c2ccc(C(C)(C)C)cc2)C[C@H](C)N1C(=O)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AKR1C3 P42330 1/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
SLC6A7 Q99884 1/20 0.40
HSD11B1 P28845 1/20 0.40
GFER P55789 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
CYP3A4 P08684 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
SCHEMBL19001052 1.00 EIF2AK4 (0.47) EIF2AK4GAAALDH1A1HTTKDM4E
SCHEMBL19000979 0.87 MEN1 (0.48) ALDH1A1HTTKDM4ENPC1SMN1; SMN2
SCHEMBL19001088 0.87 MEN1 (0.48) ALDH1A1HTTKDM4ENPC1SMN1; SMN2
SCHEMBL19000977 0.87 MEN1 (0.48) ALDH1A1HTTKDM4ENPC1SMN1; SMN2
SCHEMBL19012346 0.85 ALDH1A1 (0.48) GAAALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL19012533 0.85 ALDH1A1 (0.48) GAAALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL19012373 0.85 GAA (0.49) EIF2AK4GAAALDH1A1HTTKDM4E
SCHEMBL19012341 0.85 GAA (0.49) EIF2AK4GAAALDH1A1HTTKDM4E
SCHEMBL18436814 0.84 GAA (0.48) EIF2AK4GAAALDH1A1NPC1SMN1; SMN2
SCHEMBL18436655 0.84 GAA (0.48) EIF2AK4GAAALDH1A1NPC1SMN1; SMN2

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-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 EIF2AK4 3741/4885GAA 2952/4885ALDH1A1 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.