SCHEMBL2134900

SCHEMBL2134900

CC1(C)CC(c2cccc(Br)c2)Nc2c(Cl)cc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ EPAS1 Q99814 11/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ RCOR1 Q9UKL0 1/20 0.32
▸ PGR P06401 1/20 0.31
▸ HTT P42858 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ F10 P00742 1/20 0.30
▸ F11 P03951 1/20 0.30
▸ F7 P08709 1/20 0.30
▸ USP2 O75604 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
SCHEMBL2135138 0.88 L3MBTL1 (0.38) MAPK1L3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2141149 0.81 F10 (0.42) MAPK1L3MBTL1MAPTSMN1; SMN2ALDH1A1
Bicarbonate SCHEMBL16240209 0.79 MLNR (0.36) ALDH1A1KDM4ELMNAF10F11
SCHEMBL2137036 0.78 F10 (0.32) F10F11F7
SCHEMBL2133024 0.78 GRIN2B (0.35) MAPK1ALDH1A1F10F11F7
SCHEMBL2136714 0.73 KMT2A (0.36) MAPK1L3MBTL1ALDH1A1EPAS1KDM1A
SCHEMBL2138859 0.72 EPAS1 (0.42) L3MBTL1MAPTEPAS1KDM1ARCOR1
SCHEMBL2138997 0.71 TSHR (0.39) MAPK1MAPTKDM4EMEN1LMNA
SCHEMBL2136717 0.69 ALDH1A1 (0.40) MAPK1L3MBTL1MAPTALDH1A1ALOX15
SCHEMBL2134549 0.68 F7 (0.43) KDM1APGRF10F11F7

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 5 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 disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 — — US disclosed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 — — EP 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 MAPK1 148/4885L3MBTL1 2342/4885MAPT 3772/4885

“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.

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