SCHEMBL1034851

SCHEMBL1034851

O=C(O)c1cccc2ncc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 6/20 0.55
▸ PARP1 P09874 4/20 0.50
▸ ATR Q13535 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CSNK2A2 P19784 1/20 0.45
▸ CSNK2B P67870 1/20 0.45
▸ XDH P47989 1/20 0.44
▸ DYRK1A Q13627 3/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ RUNX1 Q01196 1/20 0.43

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
SCHEMBL1032421 0.82 DHODH (0.58) DHODHPARP1CSNK2A2CSNK2BXDH
SCHEMBL1033372 0.82 PARP1 (0.62) DHODHPARP1ATRKDM4EMEN1
SCHEMBL1034316 0.82 ALDH1A1 (0.47) PARP1ATRKDM4EMEN1NPC1
SCHEMBL1034847 0.81 KMT2A (0.54) ATRKDM4EMEN1NPC1MAPT
SCHEMBL1031038 0.81 LMNA (0.48) DHODHKDM4EMEN1NPC1MAPT
SCHEMBL1033069 0.81 MPL (0.53) PARP1ATRMAPTCSNK2A2CSNK2B
SCHEMBL1034874 0.80 PARP1 (0.62) DHODHPARP1KDM4EKMT2ASMN1; SMN2
SCHEMBL7115056 0.74 PARP1 (0.78) PARP1ATRMEN1MAPTKMT2A
SCHEMBL8309977 0.73 LDHA (0.57) DHODHCSNK2A2CSNK2BXDHDYRK1A
SCHEMBL7039533 0.73 PARP1 (0.60) PARP1PARP2

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 9 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
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 — — EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 — — EP 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 DHODH 1011/4885PARP1 183/4885ATR 1057/4885

“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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