SCHEMBL2530595

SCHEMBL2530595

COC(=O)c1ccc2c(c1)C(O)C(C)(C)C(c1ccc(Cl)c([N+](=O)[O-])c1)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.46
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ AR P10275 1/20 0.39
▸ VCAM1 P19320 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2536265 0.86 MEN1 (0.46) MAPTALDH1A1KMT2AMAPK1HPGD
SCHEMBL27888674 0.84 LMNA (0.40) LMNAMAPTALDH1A1ALOX12KMT2A
SCHEMBL2536016 0.84 MEN1 (0.39) LMNAMAPTALDH1A1KMT2AMAPK1
SCHEMBL2530827 0.82 HPGD (0.48) LMNAMAPTALDH1A1ALOX12KMT2A
SCHEMBL2537624 0.81 LMNA (0.46) LMNAMAPTALDH1A1ALOX12KMT2A
SCHEMBL2533418 0.76 ALDH1A1 (0.44) LMNAMAPTALDH1A1KMT2AMAPK1
SCHEMBL51755 0.74 LMNA (0.72) LMNAMAPTALDH1A1KMT2AMAPK1
SCHEMBL27905188 0.72 ITGB1 (0.35) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL2536458 0.72 L3MBTL1 (0.44) MAPTALDH1A1KMT2AMAPK1HPGD
SCHEMBL2534316 0.72 RAB9A (0.46) LMNAMAPTALDH1A1KMT2AHPGD

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-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 — — EP disclosed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 — — US disclosed
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 — — EP disclosed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 — — US disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 — — US disclosed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 — — WO disclosed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 — — 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 (2 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-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 LMNA 3533/4885MAPT 3094/4885ALDH1A1 552/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 LMNA 3533/4885MAPT 3094/4885ALDH1A1 552/4885

“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.

Send feedback