SCHEMBL19012469

SCHEMBL19012469

CCc1ccc(N2CC(C)N(c3nccs3)C(C)C2)nc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHI3L1 P36222 2/20 0.38
▸ CHIT1 Q13231 1/20 0.38
▸ CHI3L2 Q15782 1/20 0.38
▸ CHIA Q9BZP6 1/20 0.38
▸ SORD Q00796 9/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL19012567 1.00 CHI3L1 (0.38) CHI3L1CHIT1CHI3L2CHIASORD
SCHEMBL18436131 0.83 PDE10A (0.39) CHI3L1CHIT1CHI3L2CHIASORD
SCHEMBL19012761 0.83 NPC1 (0.43) CHI3L1CHIT1CHI3L2CHIASORD
SCHEMBL17128393 0.82 ACACB (0.39) CHI3L1SORDALDH1A1NPC1RAB9A
SCHEMBL21336728 0.82 SORD (0.38) CHI3L1SORDNPC1RAB9A
SCHEMBL17128394 0.82 SORD (0.38) SORDHRH3NPC1RAB9A
SCHEMBL18436836 0.82 SORD (0.38) CHI3L1SORDNPC1RAB9A
SCHEMBL19001056 0.80 TRPV1 (0.40) SORDNPC1RAB9A
SCHEMBL19001102 0.80 TRPV1 (0.40) SORDNPC1RAB9A
SCHEMBL19012605 0.80 ACACB (0.43) SORD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHI3L1 2571/4885CHIT1 4864/4885CHI3L2 2831/4885

“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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