SCHEMBL1965644

SCHEMBL1965644

COc1ccc2[nH]ncc2c1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
TRPA1 O75762 1/20 0.44
RAF1 P04049 6/20 0.43
BRAF P15056 6/20 0.43
METAP2 P50579 2/20 0.41
CYP1A2 P05177 1/20 0.41
AXL P30530 3/20 0.40
IDO1 P14902 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
ABL1 P00519 1/20 0.38
FLT3 P36888 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NOS1 P29475 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
SCHEMBL31411430 1.00 BRD4 (0.47) BRD4TRPA1RAF1BRAFMETAP2
SCHEMBL3537413 0.80 BRD4 (0.48) BRD4RAF1BRAFMETAP2CYP1A2
SCHEMBL3242311 0.80 HPGD (0.39) BRD4TRPA1METAP2CYP1A2KDM4E
SCHEMBL27623889 0.79 ROCK2 (0.40) BRD4TRPA1METAP2CYP1A2IDO1
SCHEMBL25799617 0.79 BRD4 (0.47) BRD4RAF1BRAFMETAP2CYP1A2
SCHEMBL30861139 0.79 CSNK2A1 (0.48) BRD4RAF1BRAFMETAP2CYP1A2
SCHEMBL2669701 0.79 BRD4 (0.47) BRD4RAF1BRAFMETAP2CYP1A2
SCHEMBL1963674 0.79 CSNK2A1 (0.48) BRD4RAF1BRAFMETAP2CYP1A2
SCHEMBL5417197 0.78 METAP2 (0.47) BRD4TRPA1RAF1BRAFMETAP2
SCHEMBL31484917 0.78 TRPA1 (0.42) BRD4TRPA1RAF1BRAFMETAP2

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 9 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
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP disclosed
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 US disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 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 (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 BRD4 266/4885TRPA1 275/4885RAF1 3127/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 BRD4 270/4885TRPA1 278/4885RAF1 3077/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 BRD4 266/4885TRPA1 275/4885RAF1 3127/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 BRD4 270/4885TRPA1 278/4885RAF1 3077/4885

“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.