SCHEMBL6167738

SCHEMBL6167738

Nc1cc(OCC(F)(F)F)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALOX15 P16050 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
THRB P10828 1/20 0.46
G6PD P11413 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 5/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.36
CYP3A4 P08684 2/20 0.36
MCL1 Q07820 1/20 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
SCHEMBL311901 0.84 MAPT (0.47) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL5563833 0.83 MAPT (0.46) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL1968386 0.81 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL23915452 0.80 MAPT (0.43) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL9615856 0.78 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL7139766 0.77 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7138352 0.77 MAPT (0.40) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL7143140 0.77 MAPT (0.43) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL1966811 0.76 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2AALOX15
SCHEMBL20987127 0.75 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2AALOX15

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-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 MAPT 1155/4885ALDH1A1 316/4885MEN1 1887/4885

“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.