SCHEMBL1026164

SCHEMBL1026164

Cc1cc2onc(C)c2cc1N

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.47
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TERT O14746 1/20 0.36

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
SCHEMBL1028127 0.92 BRD4 (0.44) BRD4CHRNB2CHRNA4CYP3A4TSHR
SCHEMBL17307557 0.85 BRD4 (0.41) BRD4CHRNB2CHRNA4
SCHEMBL6988890 0.83 BRD4 (0.53) BRD4CHRNB2CHRNA4
SCHEMBL17307553 0.81 BRD4 (0.41) BRD4CHRNB2CHRNA4
SCHEMBL29133012 0.81 CHRNB2 (0.41) BRD4CHRNB2CHRNA4
SCHEMBL30619654 0.81 CHRNB2 (0.41) BRD4CHRNB2CHRNA4
SCHEMBL6850450 0.81 CHRNB2 (0.41) BRD4CHRNB2CHRNA4
SCHEMBL30622064 0.78 BRD4 (0.46) BRD4CHRNB2CHRNA4CYP3A4
SCHEMBL30690136 0.78 BRD4 (0.43) BRD4CHRNB2CHRNA4
SCHEMBL26688298 0.78 BRD4 (0.46) BRD4CHRNB2CHRNA4CYP3A4

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-105085427-B Benzo [ d ] isoxazole compound and application thereof 中国科学院广州生物医药与健康研究院 2018-06-05 CN disclosed
CN-105085427-A Benzo [ d ] isoxazole compound and application thereof GUANGZHOU INST BIOMED & HEALTH 2015-11-25 CN disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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 (2 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 BRD4 1310/4885CHRNB2 3440/4885CHRNA4 3468/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 BRD4 2156/4885CHRNB2 4441/4885CHRNA4 4468/4885

“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.