SCHEMBL10353096

SCHEMBL10353096

[C-]#[N+]c1ccc([N+](=O)[O-])cc1OCCCN(C)c1nc(Cl)nc2c1CCC2c1ccc(F)cc1F

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.31
S1PR4 O95977 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HSPB1 P04792 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL362670 0.88 MAPT (0.31) MAPTS1PR4HPGDSMN1; SMN2LMNA
SCHEMBL10353221 0.88 PPARD (0.30) PPARDPPARA
SCHEMBL10352725 0.86 CYP19A1 (0.33) MAPTHPGDSMN1; SMN2LMNANPSR1
SCHEMBL10353095 0.85 S1PR4 (0.31) MAPTS1PR4SMN1; SMN2HSPB1HTT
SCHEMBL369212 0.84 UGT1A1 (0.34) S1PR4
SCHEMBL10279996 0.78 MAOB (0.32) PPARDPPARA
SCHEMBL10353081 0.76 CYP3A4 (0.31) MAPTSMN1; SMN2
SCHEMBL361578 0.75 PPARD (0.31) PPARDPPARA
SCHEMBL10356028 0.75 PPARD (0.31) PPARDPPARA
SCHEMBL10279805 0.74 UGT1A1 (0.38) PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 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-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP MAPT 14/4885S1PR4 3809/4885HPGD 793/4885

“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.