SCHEMBL3329624

SCHEMBL3329624

O=C(O)Cc1ccncc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.57
ALDH1A1 P00352 5/20 0.46
NAPRT Q6XQN6 1/20 0.43
HTT P42858 4/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HIPK2 Q9H2X6 1/20 0.39
GAA P10253 2/20 0.38
CYP2C9 P11712 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOA1 Q15788 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3329616 1.00 CYP1A2 (0.57) CYP1A2ALDH1A1NAPRTHTTRAB9A
SCHEMBL4067719 0.88 ALDH1A1 (0.45) CYP1A2ALDH1A1HTTRAB9ALMNA
SCHEMBL4067726 0.88 ALDH1A1 (0.45) CYP1A2ALDH1A1HTTRAB9ALMNA
SCHEMBL5115689 0.82 ALDH1A1 (0.45) CYP1A2ALDH1A1HTTRAB9AMAPT
SCHEMBL14783897 0.81 PDGFRB (0.50) ALDH1A1HTTRAB9ALMNAMAPT
SCHEMBL1982550 0.81 ALDH1A1 (0.44) CYP1A2ALDH1A1HTTRAB9ALMNA
SCHEMBL12343951 0.80 ALDH1A1 (0.46) CYP1A2ALDH1A1HTTRAB9AMAPT
SCHEMBL27658733 0.80 ALDH1A1 (0.41) CYP1A2ALDH1A1HTTRAB9AMAPT
SCHEMBL14705521 0.79 ALDH1A1 (0.45) ALDH1A1HTTRAB9ALMNAMAPT
SCHEMBL4664879 0.79 ALDH1A1 (0.45) ALDH1A1HTTRAB9ALMNAMAPT

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-8273891-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-25 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 CYP1A2 1116/4885ALDH1A1 1707/4885NAPRT 65/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 CYP1A2 1116/4885ALDH1A1 1707/4885NAPRT 65/4885

“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.