SCHEMBL2137398

SCHEMBL2137398

CC1(C)CC(c2cccc(NS(=O)(=O)c3cccnc3)c2)Nc2ccc(C(F)(F)F)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
TSHR P16473 2/20 0.49
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
NAMPT P43490 2/20 0.41
ALPL P05186 1/20 0.41
MAP2K7 O14733 1/20 0.40
MAP2K4 P45985 1/20 0.40
FFAR1 O14842 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
CCNA1 P78396 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2136176 0.90 PKM (0.46) KMT2APKMPKLRFFAR1CDK1
SCHEMBL2136934 0.88 PKM (0.46) KMT2ATSHRPKMPKLRMAP2K4
SCHEMBL2136201 0.88 KMT2A (0.43) KMT2ATSHRPKMNAMPTALPL
SCHEMBL2138830 0.87 KMT2A (0.42) KMT2ATSHRPKMNAMPTALPL
SCHEMBL10251855 0.87 KMT2A (0.42) KMT2ATSHRMAP2K7MAP2K4POLB
SCHEMBL2135923 0.86 PKM (0.46) KMT2ATSHRPKMPKLRFFAR1
SCHEMBL2135486 0.86 FFAR4 (0.55) KMT2ATSHRPKMPKLRFFAR1
SCHEMBL2135130 0.85 ALPL (0.41) KMT2ATSHRALPLMAP2K7MAP2K4
SCHEMBL2136517 0.85 KIF11 (0.46) PKMPKLRFFAR1CDK1CCNB1
SCHEMBL2133536 0.84 KMT2A (0.46) KMT2ATSHRNAMPTALPLUSP2

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
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP claimed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US claimed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 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-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 KMT2A 1455/4885TSHR 1744/4885PKM 1174/4885

“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.