SCHEMBL2137378

SCHEMBL2137378

CCOC(=O)c1ccc2c(c1)C(C)(C)CC(c1ccccc1NC(=O)c1ccc(F)cc1)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
EPHX2 P34913 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 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
SCHEMBL2133363 0.93 SMN1; SMN2 (0.53) LMNAKDM4EEPHX2SMN1; SMN2POLB
SCHEMBL2136342 0.90 KDM4E (0.43) LMNAKDM4ESMN1; SMN2POLBTDP1
SCHEMBL2137420 0.87 PRKAB2 (0.45) LMNAKDM4ESMN1; SMN2POLBTDP1
SCHEMBL2135975 0.87 LMNA (0.41) LMNAKDM4ESMN1; SMN2TDP1CYP1A2
SCHEMBL16239958 0.83 ACHE (0.41) SMN1; SMN2POLBCYP1A2CYP2D6TSHR
SCHEMBL2141345 0.83 HPGD (0.42) KDM4ESMN1; SMN2POLBRAB9ATP53
SCHEMBL2615611 0.83 MEN1 (0.39) LMNAKDM4ESMN1; SMN2POLBCYP1A2
SCHEMBL2135798 0.82 NPSR1 (0.42) LMNAKDM4ESMN1; SMN2POLBTDP1
SCHEMBL2140344 0.82 TSHR (0.51) LMNAKDM4EPOLBTP53TSHR
SCHEMBL2136580 0.81 KMT2A (0.48) LMNAKDM4ESMN1; SMN2TDP1CYP1A2

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 3 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
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 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 (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 LMNA 3389/4885KDM4E 1928/4885EPHX2 3810/4885

“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.