Sugi Predict

Sugi Predict / Compounds / SCHEMBL1034161

SCHEMBL1034161

SCHEMBL1034161

FC(F)(F)c1cccc(-c2ccc3cccc(CCl)c3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.47
▸ KDM1A O60341 3/20 0.46
▸ KMO O15229 2/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CTSK P43235 3/20 0.42
▸ XDH P47989 1/20 0.41
▸ TRPV3 Q8NET8 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1032552 0.86 CTSS (0.47) CTSSKDM1AKMOIDO1KDM4E
SCHEMBL13854087 0.84 CTSS (0.58) CTSSKDM1AKMOIDO1KDM4E
SCHEMBL13627227 0.83 CTSS (0.47) CTSSKDM1AKMOIDO1KDM4E
SCHEMBL1549846 0.81 KDM1A (0.55) CTSSKDM1AKMOIDO1KDM4E
SCHEMBL1032856 0.79 KDM1A (0.50) CTSSKDM1AKMOIDO1KDM4E
SCHEMBL13627226 0.78 KDM1A (0.50) CTSSKDM1AKMOIDO1KDM4E
SCHEMBL1034243 0.78 SCN9A (0.47) CTSSKDM1AALDH1A1TRPV3
SCHEMBL1035339 0.76 KIF11 (0.47) KDM4EALDH1A1TRPV3CYP1A2CYP3A4
SCHEMBL27845626 0.76 CTSS (0.47) CTSSKDM1AKMOIDO1KDM4E
SCHEMBL28108403 0.76 NPSR1 (0.48) CTSSKDM1AKMOIDO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083438-B The quinoline of conditioning agent and related analogs as silent message regulatory factor 西特里斯药业公司 2016-11-09 — — CN disclosed
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 — — CN disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US 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 CTSS 1114/4885KDM1A 1199/4885KMO 256/4885

“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.