SCHEMBL492329

SCHEMBL492329

COc1ccc2c(C(=O)O)nn(C(F)F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 1/20 0.44
HTR3A P46098 1/20 0.43
KDM4E B2RXH2 6/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
PTGER1 P34995 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 1/20 0.39
DYRK3 O43781 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA1 Q13131 2/20 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
SCHEMBL23093690 0.89 KDM4E (0.46) ALDH1A1KMT2AHTR3AKDM4EGAA
SCHEMBL23093693 0.88 ELANE (0.49) ALDH1A1KMT2AHTR3AKDM4EGAA
SCHEMBL19127244 0.88 PIN1 (0.46) ALDH1A1KMT2AGAAPKMHPGD
SCHEMBL19128738 0.82 ROCK2 (0.52) HTR3AROCK2
SCHEMBL19128294 0.80 RBP4 (0.40) ALDH1A1KMT2AKDM4EKDM4CPTGER1
SCHEMBL4782808 0.80 HTR3A (0.55) ALDH1A1KMT2AHTR3AKDM4EGAA
SCHEMBL492267 0.79 PDGFRA (0.40) ALDH1A1KMT2AKDM4EPTGER1SMN1; SMN2
SCHEMBL20646889 0.78 NR1H2 (0.44) ALDH1A1SMN1; SMN2ELANEMAPTADORA1
SCHEMBL23093694 0.77 ELANE (0.48) ALDH1A1KMT2AHTR3AKDM4EGAA
SCHEMBL492396 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EGAAPKM

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 ALDH1A1 1707/4885KMT2A 3238/4885HTR3A 438/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 ALDH1A1 1707/4885KMT2A 3238/4885HTR3A 438/4885

“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.