SCHEMBL10353065

SCHEMBL10353065

[C-]#[N+]c1ccc([N+](=O)[O-])cc1OCCCCNc1nc(Cl)nc2c1CCC2c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.33
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 4/20 0.32
HPGD P15428 3/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
UGT1A1 P22309 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL361143 0.87 ALDH1A1 (0.35) CYP19A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL10352841 0.87 UGT1A1 (0.33) UGT1A1KCNH2SLCO1B1
SCHEMBL10353095 0.84 S1PR4 (0.31) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL10352725 0.83 CYP19A1 (0.33) CYP19A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL10353081 0.83 CYP3A4 (0.31) CYP19A1MAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL367898 0.81 UGT1A1 (0.49) CYP19A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL10353540 0.77 KCNH2 (0.31) CYP19A1KCNH2
SCHEMBL369543 0.76 UGT1A1 (0.48) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10356082 0.75 KDM4E (0.39) KMT2AMEN1RAB9AALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL10325228 0.75 PSEN1 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19UGT1A1

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 CYP19A1 2385/4885CYP11B1 383/4885CYP11B2 347/4885

“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.