SCHEMBL3870893

SCHEMBL3870893

CC(N)c1ccc2cc[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
AHR P35869 4/20 0.47
CMA1 P23946 1/20 0.47
TYR P14679 1/20 0.47
ENPP2 Q13822 2/20 0.43
CYP2A6 P11509 1/20 0.43
PDE2A O00408 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
TSHR P16473 1/20 0.39
TRPA1 O75762 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL12497995 1.00 MEN1 (0.47) MEN1POLBMAPK1KMT2AAHR
SCHEMBL16649859 1.00 MEN1 (0.47) MEN1POLBMAPK1KMT2AAHR
SCHEMBL7886722 0.85 PTGS2 (0.50) AHRCYP2A6PTGS2GPR84TRPA1
SCHEMBL14723295 0.85 PTGS2 (0.50) AHRCYP2A6PTGS2GPR84TRPA1
SCHEMBL20169180 0.85 PTGS2 (0.50) AHRCYP2A6PTGS2GPR84TRPA1
SCHEMBL83970 0.84 AHR (0.50) MEN1POLBMAPK1KMT2AAHR
SCHEMBL23773909 0.81 MEN1 (0.47) MEN1POLBMAPK1KMT2AAHR
SCHEMBL27465478 0.81 TYR (0.52) MEN1POLBMAPK1KMT2AAHR
SCHEMBL27035959 0.80 AHR (0.55) MEN1POLBMAPK1KMT2AAHR
SCHEMBL3793164 0.78 MEN1 (0.44) MEN1POLBMAPK1KMT2AAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
US-11420944-B2 Voltage-dependent t-type calcium channel blocker NIPPON CHEMIPHAR CO., LTD. (JP) 2022-08-23 US disclosed
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2019-03-14 US disclosed
EP-3404021-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2018-11-21 EP disclosed
EP-2681215-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-08 EP disclosed
WO-2012118850-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 WO disclosed
EP-1781608-B1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2009-10-21 EP disclosed
US-7405236-B2 Indole derivatives comprising an acetylene group HOFFMAN-LA ROCHE INC. (US) 2008-07-29 US disclosed
EP-1781608-A1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-09 EP disclosed
WO-2006018174-A1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-23 WO disclosed
US-20060035956-A1 e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis HOFFMANN-LA ROCHE INC. 2006-02-16 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-20060035956-A1 e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis PPARD, PPARG, PPARA MEN1 4746/4885POLB 2121/4885MAPK1 1275/4885
US-11420944-B2 Voltage-dependent t-type calcium channel blocker CACNA1I, CACNA1G, CACNA1E MEN1 2133/4885POLB 2762/4885MAPK1 3437/4885
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1E MEN1 1995/4885POLB 2194/4885MAPK1 3316/4885

“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.