SCHEMBL1963668

SCHEMBL1963668

COc1ccc2[nH]nc(C(=O)O)c2c1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
ERN1 O75460 1/20 0.38
ERCC1 P07992 2/20 0.38
FEN1 P39748 2/20 0.38
ERCC4 Q92889 2/20 0.38
MAPT P10636 7/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
PPARG P37231 3/20 0.37
NCOA2 Q15596 3/20 0.37
NCOA1 Q15788 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL1963548 0.80 PRKAA1 (0.43) PRKAG1PRKAA1PRKAB1ERN1KDM4E
SCHEMBL1964249 0.76 CHRNA7 (0.54)
SCHEMBL1967068 0.74 PRKAA1 (0.46) L3MBTL1PRKAG1PRKAA1PRKAB1KDM4E
SCHEMBL1966460 0.74 PRKAA1 (0.46) L3MBTL1PRKAG1PRKAA1PRKAB1KDM4E
SCHEMBL492585 0.74 CTNNB1 (0.48) L3MBTL1PRKAG1PRKAA1PRKAB1MAPT
SCHEMBL16517115 0.71 PRKAA1 (0.40) PRKAG1PRKAA1PRKAB1KDM4ELMNA
SCHEMBL5945587 0.69 PRKAG1 (0.55) KMT2AMEN1PRKAG1PRKAA1PRKAB1
SCHEMBL570366 0.67 KMT2A (0.49) KMT2AMEN1L3MBTL1ERCC1FEN1
SCHEMBL26259633 0.67 RPS6KB2 (0.49) KMT2AMEN1ERN1MAPTKDM4E
SCHEMBL28164659 0.66 RPS6KB2 (0.51) KMT2AMEN1L3MBTL1ERN1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2013-08-22 US disclosed
US-8486937-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and use thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2013-07-16 US disclosed
US-8263619-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-11 US disclosed
US-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF XIE WENGE (US) 2011-12-29 US disclosed
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2010-04-29 US disclosed
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 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 (4 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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 KMT2A 3112/4885MEN1 3990/4885L3MBTL1 2994/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 KMT2A 3150/4885MEN1 3992/4885L3MBTL1 2994/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 KMT2A 3112/4885MEN1 3990/4885L3MBTL1 2994/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 KMT2A 3150/4885MEN1 3992/4885L3MBTL1 2994/4885

“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.