SCHEMBL19001082

SCHEMBL19001082

CC(C)(O)c1ccc(N2CCN(C(C)(C)C)C(=O)C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.45
SMO Q99835 2/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.36
LMNA P02545 3/20 0.36
ABL1 P00519 1/20 0.36
HTT P42858 2/20 0.36
ME2 P23368 1/20 0.36

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
SCHEMBL19012357 0.85 OGA (0.46) OGASMOMAPTALDH1A1HRH3
SCHEMBL19001112 0.79 OGA (0.54) OGASMOMAPTALDH1A1HRH3
SCHEMBL17128308 0.76 HPGDS (0.48) OGASMOMAPTALDH1A1HRH3
SCHEMBL18436092 0.76 OGA (0.54) OGASMOMAPTALDH1A1HRH3
SCHEMBL20812232 0.75 ALDH1A1 (0.48) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL19001111 0.75 HRH3 (0.39) OGASMOMAPTALDH1A1HRH3
SCHEMBL19012768 0.72 HRH3 (0.66) OGASMOMAPTALDH1A1HRH3
SCHEMBL19012350 0.72 HRH3 (0.39) OGASMOMAPTALDH1A1HRH3
SCHEMBL17128345 0.72 OGA (0.50) OGASMOMAPTALDH1A1HRH3
SCHEMBL14349218 0.71 SMN1; SMN2 (0.42) MAPTALDH1A1KDM4ESMN1; SMN2HPGD

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 OGA 2474/4885SMO 1/4885MAPT 4195/4885

“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.