SCHEMBL17142137

SCHEMBL17142137

Cc1ncn(-c2ccc([N+](=O)[O-])cc2OC(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
HTT P42858 7/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
RAB9A P51151 2/20 0.36
XBP1 P17861 1/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4B Q07343 1/20 0.36
POLB P06746 1/20 0.35
GLA P06280 1/20 0.35
CYP19A1 P11511 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 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
SCHEMBL20085601 0.86 LMNA (0.40) LMNAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL513295 0.85 LMNA (0.50) LMNAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL20085598 0.81 ALDH1A1 (0.40) LMNAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL370158 0.80 MAPT (0.42) LMNAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL361238 0.80 ALDH1A1 (0.47) LMNAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL361843 0.79 MAPT (0.41) LMNAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL361807 0.79 IDO1 (0.38) LMNAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL3428571 0.79 HTT (0.49) LMNAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL29637085 0.79 NR4A1 (0.36) LMNAMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL17142092 0.79 NR4A1 (0.36) LMNAMAPTSMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833454-B2 Difluoromethoxy compound with low bioactivation potential for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-05 US disclosed
US-9833454-B2 Difluoromethoxy compound with low bioactivation potential for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-05 US disclosed
US-9833454-B2 Difluoromethoxy compound with low bioactivation potential for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-05 US disclosed
US-20170182050-A1 DIFLUOROMETHOXY COMPOUND WITH LOW BIOACTIVATION POTENTIAL FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-29 US disclosed
US-20170182050-A1 DIFLUOROMETHOXY COMPOUND WITH LOW BIOACTIVATION POTENTIAL FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-29 US disclosed
US-20170182050-A1 DIFLUOROMETHOXY COMPOUND WITH LOW BIOACTIVATION POTENTIAL FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-29 US disclosed
EP-3126355-A1 DIFLUOROMETHOXY COMPOUND WITH LOW BIOACTIVATION POTENTIAL FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2017-02-08 EP disclosed
WO-2015153709-A1 DIFLUOROMETHOXY COMPOUND WITH LOW BIOACTIVATION POTENTIAL FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
WO-2015153709-A1 DIFLUOROMETHOXY COMPOUND WITH LOW BIOACTIVATION POTENTIAL FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 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-20170182050-A1 DIFLUOROMETHOXY COMPOUND WITH LOW BIOACTIVATION POTENTIAL FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, BACE2 LMNA 1440/4885HTT 72/4885MAPT 24/4885

“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.