SCHEMBL1622230

SCHEMBL1622230

CCc1ccc(-c2ccc(C)c(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
AGTR1 P30556 1/20 0.48
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AHR P35869 1/20 0.39
ALDH1A1 P00352 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CHKA P35790 1/20 0.38
PTGS2 P35354 3/20 0.37
KMO O15229 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL18724120 0.84 PDE3B (0.40) MAPTGAAAGTR1AHRPTGS2
SCHEMBL12603805 0.83 AHR (0.61) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL22296375 0.83 BCL2 (0.50) MAPTGAAAGTR1KDM4ECYP3A4
SCHEMBL1755262 0.83 MAPT (0.49) MAPTGAAAGTR1KDM4ECYP3A4
SCHEMBL12259927 0.82 CYP3A4 (0.56) MAPTKDM4ECYP3A4TSHRMAPK1
SCHEMBL11810752 0.81 GAA (0.36) MAPTGAAAGTR1KDM4E
SCHEMBL137449 0.81 MCL1 (0.40) CYP3A4TSHRTDP1ALDH1A1PTGS2
SCHEMBL21021770 0.81 TSHR (0.37) MAPTGAAAGTR1KDM4ETSHR
SCHEMBL18724270 0.80 SCN9A (0.43) MAPTGAAAGTR1KDM4ECYP3A4
SCHEMBL13494487 0.79 CYP3A4 (0.48) AGTR1KDM4ECYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed
EP-3153501-A1 GLUCAGON ANTAGONISTS Metabasis Therapeutics, Inc. (US) 2017-04-12 EP disclosed
WO-2017049177-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed
US-8791104-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-07-29 US disclosed
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-03 US disclosed
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-12 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 (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-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 MAPT 2884/4885GAA 3645/4885AGTR1 3531/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 MAPT 2884/4885GAA 3645/4885AGTR1 3531/4885

“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.