SCHEMBL2532073

SCHEMBL2532073

CC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.35
POLB P06746 3/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MASP2 O00187 1/20 0.34
HSPA1A P0DMV8 1/20 0.34
CD44 P16070 1/20 0.34
PTPN1 P18031 1/20 0.34
MSN P26038 1/20 0.34
CDC25B P30305 1/20 0.34
AKT1 P31749 1/20 0.34
PTPN7 P35236 1/20 0.34
EZH2 Q15910 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
SCHEMBL2530126 0.89 ALDH1A1 (0.40) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2532170 0.87 F11 (0.38) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2531931 0.87 ALDH1A1 (0.42) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL12289256 0.85 LDHA (0.33) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2536317 0.85 PRKAG1 (0.38) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL12219890 0.85 KMO (0.43) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2574768 0.84 MAPT (0.40) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2531412 0.83 MAPT (0.37) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2530850 0.82 PARP1 (0.41) MAPTKDM4EMEN1KMT2AF10
SCHEMBL2531937 0.82 KMT2A (0.35) MAPTKDM4EMEN1KMT2AALDH1A1

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 8 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
CN-102858746-A Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2013-01-02 CN 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 MAPT 3094/4885KDM4E 796/4885MEN1 353/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 MAPT 3094/4885KDM4E 796/4885MEN1 353/4885

“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.