SCHEMBL11025456

SCHEMBL11025456

CCOC(=O)c1ccc2c(c1)C(C)(C)CC(c1cncc(Br)c1)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ POLB P06746 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ RARA P10276 2/20 0.36
▸ RARB P10826 2/20 0.36
▸ AR P10275 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MASP2 O00187 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
SCHEMBL11024121 0.86 TP53 (0.44) L3MBTL1POLBMAPK1AKR1B1RARA
SCHEMBL11028354 0.82 SIRT2 (0.45) SMN1; SMN2L3MBTL1POLBHSD17B10MAPK1
SCHEMBL11027058 0.79 MAPT (0.46) SMN1; SMN2RARARARBMAPTALDH1A1
SCHEMBL11024600 0.78 F11 (0.45) SMN1; SMN2L3MBTL1POLBHSD17B10AR
SCHEMBL11024163 0.78 F10 (0.47) SMN1; SMN2POLBTSHRMAPK1AKR1B1
SCHEMBL11027270 0.77 CACNA1F (0.46) SMN1; SMN2POLBNPSR1ARMAPT
SCHEMBL2530589 0.77 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1POLBTSHRHSD17B10
SCHEMBL11023402 0.76 F11 (0.45) L3MBTL1AKR1B1RARARARBAR
SCHEMBL11026020 0.76 AR (0.40) SMN1; SMN2TSHRNPSR1AKR1B1AR
SCHEMBL11023670 0.76 F10 (0.46) SMN1; SMN2MAPK1AKR1B1ARMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — 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-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A SMN1; SMN2 1218/4885L3MBTL1 1334/4885POLB 3765/4885

“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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