SCHEMBL962620

SCHEMBL962620

CCOC(=O)Oc1cc([N+](=O)[O-])cc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
MAPT P10636 5/20 0.40
ALDH1A1 P00352 7/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 2/20 0.38
CACNA1F O60840 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
AKR1B1 P15121 1/20 0.38
GALR2 O43603 1/20 0.36
MITF O75030 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5001333 0.81 RECQL (0.42) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL8367665 0.80 ALDH1A1 (0.43) NPC1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL20298767 0.77 NPC1 (0.52) NPC1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL810412 0.76 ALDH1A1 (0.43) NPC1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL18688895 0.75 KMT2A (0.47) NPC1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8558386 0.74 MAPT (0.46) NPC1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL962535 0.74 HTT (0.51) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL1695212 0.73 KMT2A (0.57) NPC1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL24453320 0.73 POLB (0.45) NPC1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3274429 0.73 KMT2A (0.41) NPC1MAPTALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 NPC1 348/4885MAPT 15/4885ALDH1A1 1819/4885

“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.