SCHEMBL6748722

SCHEMBL6748722

CC(C)(C)NC(=O)c1ccccc1C(=O)NC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
ALDH1A1 P00352 4/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
CYP2C9 P11712 1/20 0.48
APEX1 P27695 1/20 0.48
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL29643318 0.92 ALDH1A1 (0.56) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL14357551 0.92 ALDH1A1 (0.56) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL1382591 0.90 MAPT (0.53) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL7757842 0.87 KDM4E (0.59) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL5230905 0.87 HPGD (0.56) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL162827 0.87 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL6420811 0.86 GAA (0.63) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14036493 0.86 MAPT (0.57) MAPTMEN1KMT2ASMN1; SMN2MAOA
Bromide SCHEMBL6849900 0.86 KDM4E (0.57) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL1382593 0.86 KDM4E (0.60) MAPTMEN1KMT2ASMN1; SMN2MAOA

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
US-9932331-B2 Phenyl tetrahydroisoquinoline compound substituted with heteroaryl TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-04-03 US disclosed
US-9932331-B2 Phenyl tetrahydroisoquinoline compound substituted with heteroaryl TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-04-03 US disclosed
US-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO., LTD (JP) 2017-07-27 US disclosed
US-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO., LTD (JP) 2017-07-27 US disclosed
EP-1092729-B1 POLYMERIZATION CATALYST, NOVEL TRANSITION METAL COMPOUND, AND POLYMERIZATION METHOD AND COPOLYMER USING THEM MITSUI CHEMICALS INC (JP) 2012-09-26 EP disclosed
US-6703459-B1 ORGANIC TRANSITION METAL COMPLEXES HAVING SPECIFIC STRUCTURE, WHICH CAN FORM COPOLYMERS HAVING LINKAGE FORMED BY MIGRATION OF ACTIVE HYDROGEN OF UNSATURATED MONOMER MITSUI CHEMICALS, INC. (JP) 2004-03-09 US disclosed
EP-1092729-A1 POLYMERIZATION CATALYST, NOVEL TRANSITION METAL COMPOUND, AND POLYMERIZATION METHOD AND COPOLYMER USING THEM Mitsui Chemicals, Inc. (JP) 2001-04-18 EP 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-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL NHERF1, SLC9A3, SLC26A3 MAPT 4209/4885MEN1 2007/4885KMT2A 1917/4885

“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.