SCHEMBL960700

SCHEMBL960700

COc1cc([N+](=O)[O-])ccc1-c1cc(C)no1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 4/20 0.47
MCL1 Q07820 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.47
CSF1R P07333 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PKM P14618 1/20 0.43
BRD4 O60885 1/20 0.41
MPI P34949 1/20 0.41
GUSB P08236 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
XPA P23025 1/20 0.40

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
SCHEMBL3362968 0.80 MAPT (0.62) HTTKMT2AMEN1TDP1POLB
SCHEMBL16063166 0.77 KMT2A (0.51) HTTKMT2AMEN1TDP1POLB
SCHEMBL30292051 0.76 IMPDH2 (0.60) HTTKMT2AMEN1TDP1POLB
SCHEMBL3863160 0.76 IMPDH2 (0.60) HTTKMT2AMEN1TDP1POLB
SCHEMBL963294 0.76 IMPDH2 (0.56) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL436148 0.75 TNF (0.55) KMT2AMEN1MAPTCSF1R
SCHEMBL24987207 0.74 ALDH1A1 (0.52) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL790930 0.74 HTT (0.51) HTTKMT2AMEN1TDP1POLB
SCHEMBL16442407 0.73 GUSB (0.54) HTTKMT2AMEN1TDP1POLB
SCHEMBL2252310 0.73 HTT (0.50) HTTKMT2AMEN1TDP1POLB

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 HTT 105/4885KMT2A 4488/4885MEN1 3498/4885

“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.