SCHEMBL7428472

SCHEMBL7428472

Cc1nc2ccc(C(N)=O)cc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.73
ESR2 Q92731 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
POLB P06746 2/20 0.66
ALDH1A1 P00352 1/20 0.66
HPGD P15428 1/20 0.66
RAB9A P51151 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CHEK2 O96017 16/20 0.65
PKN1 Q16512 1/20 0.58
PKN2 Q16513 1/20 0.58

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
SCHEMBL8262964 0.87 HSP90AA1 (0.55) HSP90AA1ESR2TDP1POLBALDH1A1
SCHEMBL6113137 0.85 HSP90AA1 (0.76) HSP90AA1ESR2TDP1POLBALDH1A1
SCHEMBL1758956 0.85 TDP1 (1.00) HSP90AA1ESR2TDP1POLBALDH1A1
SCHEMBL29924530 0.85 TDP1 (1.00) HSP90AA1ESR2TDP1POLBALDH1A1
Hydrochloric Acid SCHEMBL7331913 0.83 TDP1 (0.97) HSP90AA1ESR2TDP1POLBALDH1A1
SCHEMBL7362185 0.83 F10 (0.65) HSP90AA1ESR2TDP1POLBALDH1A1
Carbamic Acid SCHEMBL29258949 0.82 ALDH1A1 (0.92) HSP90AA1ESR2TDP1POLBALDH1A1
SCHEMBL1805538 0.82 HSP90AA1 (0.62) HSP90AA1ESR2TDP1POLBALDH1A1
SCHEMBL1805540 0.82 HSP90AA1 (0.62) HSP90AA1ESR2TDP1POLBALDH1A1
SCHEMBL3416768 0.81 CHEK2 (0.61) CHEK2PKN1PKN2

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
EP-4284370-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2023-12-06 EP disclosed
WO-2022165142-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2022-08-04 WO disclosed
EP-2970158-B1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS BIOELECTRON TECH CORP (US) 2019-02-20 EP disclosed
US-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 US disclosed
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP disclosed
EP-1117651-A1 NEW BIS-BENZIMIDAZOLES Bayer Aktiengesellschaft (DE) 2001-07-25 EP disclosed
WO-2000020401-A1 NEW BIS-BENZIMIDAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-13 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-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NQO1, COQ8A, NDUFAB1 HSP90AA1 417/4885ESR2 1461/4885TDP1 416/4885

“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.