SCHEMBL492601

SCHEMBL492601

CCOC(=O)c1noc2cc(N)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
ELANE P08246 2/20 0.44
HTT P42858 3/20 0.42
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AHR P35869 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
BRAF P15056 1/20 0.40
EIF2AK3 Q9NZJ5 1/20 0.40
MLYCD O95822 1/20 0.39
IDO1 P14902 1/20 0.39
TDP2 O95551 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL492496 0.84 AKR1B1 (0.54) CYP1A2MAOAHTTAKR1B1ALDH1A1
SCHEMBL30323663 0.84 CYP1A2 (0.46) LMNACYP1A2HTTALDH1A1HSD17B10
SCHEMBL16571428 0.84 CYP1A2 (0.46) LMNACYP1A2HTTALDH1A1HSD17B10
SCHEMBL8226588 0.83 HTT (0.50) LMNAELANEHTTALDH1A1KDM4E
SCHEMBL492231 0.83 TBK1 (0.48) LMNAELANEHTTALDH1A1KDM4E
SCHEMBL14492918 0.83 KDM4E (0.42) LMNACYP1A2HTTAKR1B1ALDH1A1
SCHEMBL6833807 0.83 ALDH1A1 (0.50) ELANEALDH1A1KDM4ESMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL28622111 0.83 CYP1A2 (0.45) LMNACYP1A2HTTALDH1A1HSD17B10
SCHEMBL491943 0.82 KDM4E (0.50) LMNAELANEHTTALDH1A1KDM4E
SCHEMBL8226360 0.81 IDO1 (0.43) LMNACYP1A2HTTALDH1A1HSD17B10

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 1116/4885CYP3A4 980/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 LMNA 2847/4885CYP1A2 1116/4885CYP3A4 980/4885

“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.