SCHEMBL10193002

SCHEMBL10193002

CC1=C(C)Oc2ccccc2N=C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 12/20 0.53
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL1772874 0.72 TRPA1 (0.55) TRPA1MAPTMEN1HTTKMT2A
SCHEMBL13996942 0.70 TRPA1 (0.57) TRPA1MAPTMEN1HTTKMT2A
Dibenzo[B,F][1,4]Oxazepine SCHEMBL123289 0.70 TRPA1 (1.00) TRPA1MAPTMEN1HTTKMT2A
SCHEMBL16582549 0.69 AHR (0.43) KDM4E
Dibenzo[B,F][1,4]Oxazepine SCHEMBL30601896 0.68 TRPA1 (0.96) TRPA1MAPTMEN1HTTKMT2A
SCHEMBL12595957 0.66 TRPA1 (0.47) TRPA1MAPTMEN1HTTKMT2A
SCHEMBL12558466 0.66 TRPA1 (0.47) TRPA1MAPTMEN1HTTKMT2A
SCHEMBL16306317 0.65 TRPA1 (0.57) TRPA1MAPTMEN1HTTKMT2A
SCHEMBL1343228 0.64 TRPA1 (0.53) TRPA1MAPTMEN1HTTKMT2A
SCHEMBL29893783 0.64 TRPA1 (0.50) TRPA1MAPTMEN1HTTKMT2A

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
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8178077-B2 Drug development target protein and target gene, and method of screening REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-05-15 US disclosed
US-8178077-B2 Drug development target protein and target gene, and method of screening REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-05-15 US disclosed
US-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING REVERSE PROTEOMICS RESEARCH INSTITUTE CO. (JP) 2009-09-17 US disclosed
US-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING REVERSE PROTEOMICS RESEARCH INSTITUTE CO. (JP) 2009-09-17 US 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 (3 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TRPA1 1440/4885MAPT 1301/4885MEN1 2074/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TRPA1 1440/4885MAPT 1301/4885MEN1 2074/4885
US-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING NCS1, PRSS12, TPX2 TRPA1 4243/4885MAPT 214/4885MEN1 3662/4885

“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.