SCHEMBL10353095

SCHEMBL10353095

[C-]#[N+]c1ccc([N+](=O)[O-])cc1OCCCNc1nc(Cl)nc2c1CCC2c1ccc(F)cc1F

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.31
RAB9A P51151 1/20 0.31
HSPB1 P04792 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
STK17B O94768 1/20 0.30
STK17A Q9UEE5 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL361518 0.88 EGFR (0.33) S1PR4RAB9AHSPB1MEN1KMT2A
SCHEMBL10353158 0.88
SCHEMBL10353096 0.85 MAPT (0.31) S1PR4HSPB1MAPTSMN1; SMN2HTT
SCHEMBL10353065 0.84 CYP19A1 (0.33) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL360454 0.83 PSEN1 (0.41) S1PR4MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10353081 0.82 CYP3A4 (0.31) MAPTSMN1; SMN2ALDH1A1
SCHEMBL10353540 0.78 KCNH2 (0.31)
SCHEMBL15450622 0.75 GPR6 (0.30)
SCHEMBL10356289 0.74
SCHEMBL360333 0.73 MEN1 (0.33) RAB9AMEN1KMT2AMAPTALDH1A1

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 S1PR4 3809/4885RAB9A 1822/4885HSPB1 181/4885

“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.