SCHEMBL492280

SCHEMBL492280

CCOC(=O)c1noc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
CYP1A2 P05177 1/20 0.63
ELANE P08246 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 3/20 0.48
F2 P00734 3/20 0.47
PLAU P00749 3/20 0.47
CTRB1 P17538 3/20 0.47
HIF1A Q16665 1/20 0.44
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL17437900 0.87 LMNA (0.73) LMNACYP1A2ELANEALDH1A1MAPT
Hydrochloric Acid SCHEMBL11799948 0.85 LMNA (0.58) LMNACYP1A2ELANESMN1; SMN2MITF
SCHEMBL6833681 0.80 SMN1; SMN2 (0.44) LMNACYP1A2ELANESMN1; SMN2MITF
SCHEMBL492496 0.80 AKR1B1 (0.54) CYP1A2SMN1; SMN2ALDH1A1MAPT
SCHEMBL492850 0.80 LMNA (0.66) LMNACYP1A2SMN1; SMN2ALDH1A1MAPT
SCHEMBL492231 0.79 TBK1 (0.48) LMNAELANESMN1; SMN2ALDH1A1MAPT
SCHEMBL14492918 0.79 KDM4E (0.42) LMNACYP1A2ALDH1A1PKM
SCHEMBL492601 0.79 LMNA (0.46) LMNACYP1A2ELANESMN1; SMN2ALDH1A1
SCHEMBL6833807 0.79 ALDH1A1 (0.50) ELANESMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL8226588 0.79 HTT (0.50) LMNAELANESMN1; SMN2ALDH1A1MAPT

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
US-8273891-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-25 US disclosed
US-8106066-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-01-31 US disclosed
US-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF SCHUMACHER RICHARD 2010-06-03 US disclosed
EP-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2007-04-05 US disclosed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 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 (2 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-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 LMNA 2847/4885CYP1A2 1116/4885ELANE 2764/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 LMNA 2847/4885CYP1A2 1116/4885ELANE 2764/4885

“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.