Sugi Predict

Sugi Predict / Compounds / SCHEMBL360333

SCHEMBL360333

SCHEMBL360333

N#Cc1ccc([N+](=O)[O-])cc1OCCNCCNc1nc(Cl)nc2c1CCC2c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RAB9A P51151 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ CYP3A4 P08684 2/20 0.30
▸ PSEN1 P49768 2/20 0.30
▸ PSEN2 P49810 2/20 0.30
▸ APH1B Q8WW43 2/20 0.30
▸ NCSTN Q92542 2/20 0.30
▸ APH1A Q96BI3 2/20 0.30
▸ PSENEN Q9NZ42 2/20 0.30
▸ CYP2C8 P10632 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ UGT1A1 P22309 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ SLCO1B1 Q9Y6L6 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
SCHEMBL361577 0.89 KCNH2 (0.31) RAB9AALDH1A1KCNH2CYP19A1
SCHEMBL362556 0.89 CYP3A4 (0.32) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL363490 0.87 CYP3A4 (0.32) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL361518 0.85 EGFR (0.33) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL361143 0.85 ALDH1A1 (0.35) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL10279839 0.84 PSEN1 (0.48) RAB9ACYP3A4PSEN1PSEN2APH1B
SCHEMBL18023123 0.82 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL10324606 0.78 CYP19A1 (0.31) CYP19A1
SCHEMBL10353081 0.77 CYP3A4 (0.31) ALDH1A1MAPTCYP3A4PSEN1PSEN2
SCHEMBL10353540 0.77 KCNH2 (0.31) KCNH2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 — — EP disclosed
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 — — EP disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 — — US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 — — US disclosed
EP-2593461-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-05-22 — — EP disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 — — US disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 — — WO disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 — — 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-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP MEN1 2689/4885KMT2A 4694/4885RAB9A 1822/4885

“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.