Sugi Predict

Sugi Predict / Compounds / SCHEMBL15313180

SCHEMBL15313180

SCHEMBL15313180

CC[Si](CC)(CC)c1[nH]c2ccc(C(F)(F)F)cc2c1CCN=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.43
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CHUK O15111 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ DRD2 P14416 3/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ EGFR P00533 2/20 0.34
▸ PDE2A O00408 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ NPBWR1 P48145 1/20 0.33

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
SCHEMBL892668 0.82 CYP2C9 (0.47) KIF11MEN1KMT2ACHUKKDM4E
SCHEMBL30532272 0.82 CYP2C9 (0.47) KIF11MEN1KMT2ACHUKKDM4E
SCHEMBL7679735 0.82 KIF11 (0.46) KIF11MEN1KMT2ACHUKKDM4E
SCHEMBL891994 0.82 KIF11 (0.46) KIF11MEN1KMT2ACHUKKDM4E
SCHEMBL15345980 0.81 ALDH1A1 (0.37) KDM4EDRD2HTR2AHTR2CHTR6
SCHEMBL27880457 0.81 MEN1 (0.48) MEN1KMT2ACHUKDRD2HTR2A
SCHEMBL15313114 0.78 CNR1 (0.30) —
SCHEMBL15313151 0.75 GRIN2D (0.31) —
SCHEMBL7698333 0.73 ALDH1A1 (0.43) KIF11MEN1KMT2AKDM4EDDR1
SCHEMBL15313134 0.71 CNR1 (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-2651888-B1 N-((1H-indol-3-yl)-alkyl)-4-benzyl)benzamide and N-((1H-pyrrolo[2,3-b]pyridin-3-yl)-alkyl)-4-benzyl)benzamide derivatives as alpha synuclein aggregation inhibitors for the treatment of neurodegenerative disorders UNIV LEUVEN KATH (BE) 2017-05-17 — — EP disclosed
CN-103261156-B For treating the noval chemical compound of neurodegenerative disease 鲁汶天主教大学研究开发部 2016-12-28 — — CN disclosed
US-9266832-B2 Compounds for the treatment of neurodegenerative diseases Katholieke Universiteit Levun (BE) 2016-02-23 — — US disclosed
US-20130274260-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2013-10-17 — — US disclosed
CN-103261156-A New compounds for the treatment of neurodegenerative diseases LEUVEN K U RES & DEV 2013-08-21 — — CN disclosed
CN-102803252-A Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases UNIV LEUVEN KATH 2012-11-28 — — CN 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-20130274260-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, PSEN1 KIF11 3114/4885MEN1 704/4885KMT2A 3795/4885

“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.