SCHEMBL2292104

SCHEMBL2292104

COc1nnnc(OC)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2370879 0.87 CYP1A2 (0.41) CYP1A2ALDH1A1CYP2C19
SCHEMBL2860348 0.73 ALDH1A1 (0.36) CYP1A2ALDH1A1CYP2C19
SCHEMBL9852982 0.69 PDPK1 (0.43) CYP1A2ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL7607691 0.67 CCNA2 (0.47) CYP1A2
SCHEMBL5392651 0.66 ALDH1A1 (0.32) CYP1A2ALDH1A1CYP2C19
SCHEMBL10929799 0.64 ALDH1A1 (0.30) CYP1A2ALDH1A1CYP2C19
SCHEMBL8642368 0.64 CCNA2 (0.31) CYP1A2ALDH1A1CYP2C19
SCHEMBL17302069 0.61 CYP1A2 (0.52) CYP1A2CYP2C19MEN1KMT2A
SCHEMBL11390829 0.60
SCHEMBL11687826 0.60

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-106232589-B Tetracarboxylic dianhydride, polyamic acid, polyimides and those manufacturing method and polyamic acid solution 捷客斯能源株式会社 2019-10-22 CN disclosed
CN-110167923-A Tetracarboxylic dianhydride, carbonyls, polyimides forerunner resin and polyimides JXTG能源株式会社 2019-08-23 CN disclosed
CN-108473448-A Ointment 大塚制药株式会社 2018-08-31 CN disclosed
CN-107922367-A Tetracarboxylic dianhydride, carbonyl compound, polyamic acid, polyimide, method for producing same, solution using polyamic acid, and film using polyimide JXTG能源株式会社 2018-04-17 CN disclosed
US-8002915-B2 Gas generant compositions TK HOLDINGS, INC. (US) 2011-08-23 US disclosed
US-20090008002-A1 Gas generant compositions JOYSON SAFETY SYSTEMS ACQUISITION LLC 2009-01-08 US disclosed
WO-2008060366-A2 GAS GENERANT COMPOSITIONS TK HOLDINGS, INC. (US) 2008-05-22 WO disclosed
EP-1725548-A2 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2006-11-29 EP disclosed
WO-2005090334-A2 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-09-29 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-20090008002-A1 Gas generant compositions CBR3, CBR1, NOX5 CYP1A2 40/4885ALDH1A1 1527/4885CYP2C19 331/4885

“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.