SCHEMBL1403013

SCHEMBL1403013

N[C](C=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ BLM P54132 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ RECQL P46063 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ PARP1 P09874 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ F2 P00734 2/20 0.46
▸ F10 P00742 1/20 0.46
▸ F12 P00748 1/20 0.46
▸ F7 P08709 1/20 0.46
▸ F3 P13726 1/20 0.46
▸ PKM P14618 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
SCHEMBL27364207 0.77 LMNA (0.48) ALDH1A1BLMRECQLCYP2C19CYP3A4
SCHEMBL28066941 0.75 CES2 (0.48) ALDH1A1RECQLMAPTCES1CES2
SCHEMBL1076339 0.74 AKT1 (0.52) TDP1ALDH1A1MAPK1BLMTSHR
SCHEMBL28163551 0.73 PARP1 (0.62) ALDH1A1PARP1L3MBTL1PKMCES1
SCHEMBL8519178 0.72 ALDH1A1 (0.59) TDP1ALDH1A1MAPK1BLMTSHR
SCHEMBL9615018 0.72 ALDH1A1 (0.59) TDP1ALDH1A1MAPK1BLMTSHR
SCHEMBL9615016 0.72 ALDH1A1 (0.59) TDP1ALDH1A1MAPK1BLMTSHR
SCHEMBL28054631 0.72 ALDH1A1 (0.59) TDP1ALDH1A1MAPK1BLMTSHR
Benzamide SCHEMBL8772889 0.72 PARP1 (0.80) TDP1ALDH1A1MAPK1BLMTSHR
Benzamide SCHEMBL3541486 0.72 PARP1 (0.80) TDP1ALDH1A1MAPK1BLMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291359-A1 PHENYL OR PYRIDINYL SUBSTITUTED INDAZOLES DERIVATIVES AstraZeneca AB (SE) 2011-03-09 — — EP claimed
US-20100080786-A1 Phenyl or Pyridinyl Substituted Indazoles Derivatives ASTRAZENECA AB (SE) 2010-04-01 — — US claimed
WO-2009142569-A1 PHENYL OR PYRIDINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2009-11-26 — — WO claimed
CN-116234810-A Cell apoptosis inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2023-06-06 — — CN disclosed
EP-2291359-A1 PHENYL OR PYRIDINYL SUBSTITUTED INDAZOLES DERIVATIVES AstraZeneca AB (SE) 2011-03-09 — — EP disclosed
CN-101967117-A Substituted pyrrole derivatives and their use as HMG-CO inhibitors RANBAXY LAB LTD 2011-02-09 — — CN disclosed
US-20100080786-A1 Phenyl or Pyridinyl Substituted Indazoles Derivatives ASTRAZENECA AB (SE) 2010-04-01 — — US disclosed
WO-2009142569-A1 PHENYL OR PYRIDINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2009-11-26 — — WO disclosed
CN-1812983-A Substituted pyrrole derivatives and their use as hmg-co inhibitors RANBAXY LAB LTD (IN) 2006-08-02 — — CN disclosed
CN-1042331-C Indole derivatives GLAXO SPA (IT) 1999-03-03 — — CN disclosed
CN-1041919-C N-(3-piperidinylcarbonyl)-beta-alanine derivatives as PAF antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1999-02-03 — — CN disclosed
CN-1116847-A N- (3-piperidinylcarbonyl) -beta-aminopropionic acid derivatives as PAF antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1996-02-14 — — CN disclosed
CN-1085212-A Indole derivatives GLAXO SPA (IT) 1994-04-13 — — CN 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-20100080786-A1 Phenyl or Pyridinyl Substituted Indazoles Derivatives CYP3A5, CYP3A43, ABCB1 TDP1 3856/4885ALDH1A1 612/4885MAPK1 2951/4885

“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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