SCHEMBL1032210

SCHEMBL1032210

O=C(Nc1nccs1)c1cccc2cc(C(F)(F)F)c(Cl)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 2/20 0.49
KCNMA1 Q12791 1/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 2/20 0.48
PPARG P37231 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
PSMD14 O00487 1/20 0.47
STAMBP O95630 1/20 0.47
COPS5 Q92905 1/20 0.47
GCK P35557 1/20 0.47
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL1031275 0.85 CYP1A2 (0.52) NPC1ALDH1A1CYP1A2RAB9ASMN1; SMN2
SCHEMBL1032847 0.81 NPC1 (0.50) NPC1ALDH1A1KCNMA1RAB9ASMN1; SMN2
SCHEMBL1033862 0.78 CYP1A2 (0.49) NPC1ALDH1A1CYP1A2RAB9ASMN1; SMN2
Bromide SCHEMBL27908387 0.78 CYP1A2 (0.66) NPC1ALDH1A1CYP1A2RAB9ASMN1; SMN2
SCHEMBL1034914 0.77 CYP11B2 (0.53) NPC1ALDH1A1KCNMA1RAB9ASMN1; SMN2
SCHEMBL10871494 0.76 PSMD14 (0.69) NPC1CYP1A2RAB9ASMN1; SMN2MEN1
SCHEMBL12673195 0.76 KCNMA1 (0.51) NPC1ALDH1A1CYP1A2KCNMA1RAB9A
SCHEMBL1034835 0.76 SIRT2 (0.51) NPC1ALDH1A1CYP1A2RAB9ASMN1; SMN2
SCHEMBL12673099 0.75 KCNMA1 (0.50) NPC1ALDH1A1CYP1A2KCNMA1RAB9A
SCHEMBL1030945 0.75 KDM4E (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD

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
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 NPC1 3386/4885ALDH1A1 2326/4885CYP1A2 2055/4885

“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.