SCHEMBL16063166

SCHEMBL16063166

COc1cc([N+](=O)[O-])ccc1-c1cnc(C)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 5/20 0.49
MCL1 Q07820 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 3/20 0.49
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
XPA P23025 1/20 0.41
NPC1 O15118 1/20 0.41

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 0.82 MAPT (0.62) KMT2AMEN1TDP1POLBMAPT
SCHEMBL7891466 0.81 S1PR4 (0.41) KMT2AMEN1TDP1POLBMAPT
SCHEMBL12947924 0.78 ALDH1A1 (0.43) TDP1POLBMAPTALDH1A1HPGD
SCHEMBL2625714 0.78 PIK3CD (0.38) TDP1POLBMAPTALDH1A1HTT
SCHEMBL960700 0.77 HTT (0.50) KMT2AMEN1TDP1POLBMAPT
SCHEMBL16442407 0.77 GUSB (0.54) KMT2AMEN1TDP1POLBMAPT
SCHEMBL30292051 0.77 IMPDH2 (0.60) KMT2AMEN1TDP1POLBMAPT
SCHEMBL3863160 0.77 IMPDH2 (0.60) KMT2AMEN1TDP1POLBMAPT
SCHEMBL16442411 0.76 HTT (0.49) KMT2AMEN1TDP1POLBMAPT
SCHEMBL3411035 0.76 IMPDH2 (0.58) MAPTALDH1A1HTTCA12CA2

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
US-9145399-B2 Substituted bicyclic triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-09-29 US disclosed
US-9079886-B2 Substituted triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-07-14 US disclosed
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8835482-B2 Substituted indazole and aza-indazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-09-16 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-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A KMT2A 2777/4885MEN1 2658/4885TDP1 1982/4885

“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.