SCHEMBL6325919

SCHEMBL6325919

CN1C(=O)/C(=C(/O)c2ccccc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.56
▸ CES1 P23141 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ TRPA1 O75762 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ MTOR P42345 1/20 0.53
▸ HPGD P15428 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ F2 P00734 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ EPHX2 P34913 2/20 0.47
▸ LRRK2 Q5S007 1/20 0.46
▸ NR1H2 P55055 3/20 0.46
▸ NR1H3 Q13133 3/20 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
SCHEMBL6325921 1.00 TTR (0.56) TTRCES1ALDH1A1MAPTLMNA
SCHEMBL2824311 0.85 ALDH1A1 (0.52) TTRCES1ALDH1A1MAPTLMNA
SCHEMBL2824309 0.85 ALDH1A1 (0.52) TTRCES1ALDH1A1MAPTLMNA
SCHEMBL13207350 0.85 ALDH1A1 (0.52) TTRCES1ALDH1A1MAPTLMNA
SCHEMBL28060386 0.83 TTR (0.62) TTRCES1ALDH1A1MAPTLMNA
SCHEMBL18209556 0.81 NR1H2 (0.52) TTRALDH1A1MAPTLMNAALOX15
SCHEMBL29623567 0.78 ALDH1A1 (0.62) CES1ALDH1A1MAPTLMNAALOX15
SCHEMBL6325992 0.78 CES1 (0.63) CES1ALDH1A1MAPTLMNAALOX15
SCHEMBL25681839 0.78 CES1 (0.63) CES1ALDH1A1MAPTLMNAALOX15
SCHEMBL30271297 0.77 TTR (0.46) TTRCES1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 — — US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 — — US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 — — EP disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 — — EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 — — 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 TTR 4857/4885CES1 2292/4885ALDH1A1 1810/4885

“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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