SCHEMBL2136575

SCHEMBL2136575

CC1(C)CC(c2ccccc2NS(=O)(=O)c2cccnc2)Nc2ccc(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 7/20 0.39
▸ GLO1 Q04760 3/20 0.39
▸ SLC22A12 Q96S37 2/20 0.39
▸ BRAF P15056 4/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL2133078 0.90 PDGFRB (0.40) SLC40A1GLO1SLC22A12PDGFRBKDR
SCHEMBL2138380 0.87 SLC40A1 (0.40) SLC40A1GLO1BRAFCKS1BSKP2
SCHEMBL2615622 0.85 SLC40A1 (0.39) SLC40A1GLO1BRAFCKS1BSKP2
SCHEMBL2133536 0.85 KMT2A (0.46) SLC40A1GLO1CYP3A4ALPLCKS1B
SCHEMBL2138836 0.85 TBXA2R (0.41) SLC40A1GLO1CKS1BSKP2
SCHEMBL2135130 0.84 ALPL (0.41) ALPLCYP2C9
SCHEMBL2135919 0.84 PARP14 (0.38) SLC22A12
SCHEMBL2615613 0.83 SLC40A1 (0.39) SLC40A1GLO1CKS1BSKP2
SCHEMBL16239546 0.83 USP2 (0.40) SLC40A1GLO1CKS1BSKP2
SCHEMBL2133027 0.81 F10 (0.33) —

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 SLC40A1 3031/4885GLO1 1252/4885SLC22A12 3919/4885

“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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