SCHEMBL2136201

SCHEMBL2136201

Cc1ccc2c(c1)C(C)(C)CC(c1cccc(NS(=O)(=O)c3cccnc3)c1)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.41
BRD4 O60885 1/20 0.40
MAP2K7 O14733 1/20 0.40
MAP2K4 P45985 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PARP1 P09874 1/20 0.40
NAMPT P43490 1/20 0.40
GAA P10253 2/20 0.39
SLC40A1 Q9NP59 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ALPL P05186 2/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MAPT P10636 2/20 0.37
CYP17A1 P05093 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL10251855 0.90 KMT2A (0.42) KMT2APOLBBRD4MAP2K7MAP2K4
SCHEMBL2138830 0.90 KMT2A (0.42) KMT2ABRD4MAP2K7MAP2K4PARP1
SCHEMBL2133243 0.89 GAA (0.42) KMT2ABRD4SMN1; SMN2GAAMEN1
SCHEMBL2135130 0.88 ALPL (0.41) KMT2ABRD4MAP2K7MAP2K4SMN1; SMN2
SCHEMBL2137398 0.88 KMT2A (0.56) KMT2APOLBBRD4MAP2K7MAP2K4
SCHEMBL2137453 0.88 SMN1; SMN2 (0.45) KMT2ABRD4SMN1; SMN2GAAMEN1
SCHEMBL2136004 0.86 PKM (0.44) KMT2APOLBMAP2K4SMN1; SMN2GAA
SCHEMBL2137242 0.84 MAPT (0.47) KMT2ABRD4SMN1; SMN2GAAPKM
SCHEMBL2135572 0.84 F11 (0.43) KMT2ABRD4SMN1; SMN2GAAMEN1
SCHEMBL2136991 0.81 ALDH1A1 (0.39) KMT2ABRD4SMN1; SMN2PARP1MEN1

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
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
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
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 1455/4885POLB 3819/4885BRD4 739/4885

“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.