SCHEMBL362670

SCHEMBL362670

CN(CCCOc1cc([N+](=O)[O-])ccc1C#N)c1nc(Cl)nc2c1CCC2c1ccc(F)cc1F

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.31
HPGD P15428 3/20 0.31
S1PR4 O95977 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSPB1 P04792 1/20 0.31
CYP19A1 P11511 3/20 0.31
PIN1 Q13526 1/20 0.31
EGFR P00533 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL10353096 0.88 MAPT (0.31) MAPTHPGDS1PR4LMNASMN1; SMN2
SCHEMBL361578 0.88 PPARD (0.31) PPARDPPARA
SCHEMBL10279996 0.87 MAOB (0.32) PIN1PPARDPPARAKMT2A
SCHEMBL10356028 0.87 PPARD (0.31) PPARDPPARA
SCHEMBL360838 0.86 PIN1 (0.34) MAPTHPGDLMNASMN1; SMN2CYP19A1
SCHEMBL369212 0.85 UGT1A1 (0.34) S1PR4
SCHEMBL361518 0.85 EGFR (0.33) MAPTS1PR4SMN1; SMN2HSPB1EGFR
SCHEMBL10356368 0.80 PPARD (0.32) PPARDPPARA
SCHEMBL362556 0.76 CYP3A4 (0.32) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10353221 0.75 PPARD (0.30) 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 6 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
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

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 14/4885HPGD 793/4885S1PR4 3809/4885

“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.