SCHEMBL16729641

SCHEMBL16729641

Cc1cc(OCC(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SOD1 P00441 1/20 0.39
CYP2C9 P11712 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
THRB P10828 1/20 0.37
G6PD P11413 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
LMNA P02545 3/20 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
SCHEMBL16727185 0.88 ALDH1A1 (0.63) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL8283885 0.88 MAPT (0.63) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL14227168 0.86 ALDH1A1 (0.37) MAPTALDH1A1SOD1RAPGEF4LMNA
SCHEMBL13180038 0.85 RXRA (0.48) MAPTALDH1A1SOD1CYP2C9CYP2C19
SCHEMBL30973525 0.81 SOD1 (0.37) ALDH1A1SOD1KDM4EL3MBTL1RAPGEF4
SCHEMBL30973422 0.81 SOD1 (0.37) ALDH1A1SOD1KDM4EL3MBTL1RAPGEF4
SCHEMBL13104141 0.81 MAPT (0.50) MAPTALDH1A1CYP2C9CYP17A1CYP2C19
SCHEMBL13699127 0.80 TP53 (0.44) ALDH1A1SOD1ALOX15L3MBTL1SMN1; SMN2
SCHEMBL19904783 0.80 KDM4E (0.42) ALDH1A1SOD1MEN1KMT2AKDM4E
SCHEMBL21916107 0.80 SCN9A (0.40) SOD1KMT2ARAPGEF4RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867237-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 EP disclosed
WO-2020208036-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-10-15 WO disclosed
WO-2020079198-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-23 WO disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 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-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 MAPT 127/4885ALDH1A1 693/4885SOD1 1425/4885

“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.