SCHEMBL1967040

SCHEMBL1967040

O=C(O)c1nn(Cc2ccccc2)c2ccc(OC(F)F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.53
CPT1A P50416 3/20 0.52
CPT1B Q92523 3/20 0.52
CYP2C9 P11712 2/20 0.47
PPARG P37231 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGER4 P35408 7/20 0.45
MRGPRX4 Q96LA9 1/20 0.42
PLA2G4A P47712 1/20 0.41

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
SCHEMBL1967017 0.91 CPT1A (0.48) MCL1CPT1ACPT1BCYP2C9PPARG
SCHEMBL3783075 0.88 PTGER4 (0.54) MCL1CPT1ACPT1BCYP2C9PPARG
SCHEMBL29459618 0.88 PTGER4 (0.54) MCL1CPT1ACPT1BCYP2C9PPARG
SCHEMBL3784936 0.87 CPT1A (0.68) MCL1CPT1ACPT1BCYP2C9PPARG
SCHEMBL18322342 0.85 ALDH1A1 (0.63) MCL1CYP2C9PPARGALDH1A1GAA
SCHEMBL1216862 0.79 CYP1A2 (0.51) MCL1CYP2C9ALDH1A1GAAPKM
SCHEMBL3771874 0.78 CNR1 (0.51) CPT1ACPT1BCYP2D6PTGER4
SCHEMBL29805498 0.78 PTGER4 (0.66) CYP2C9ALDH1A1GAAPKMCYP1A2
SCHEMBL1225871 0.78 PTGER4 (0.66) CYP2C9ALDH1A1GAAPKMCYP1A2
SCHEMBL3789008 0.77 CPT1A (0.61) MCL1CPT1ACPT1BPOLBPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103724343-A Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARM CORP 2014-04-16 CN disclosed
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
CN-101001856-A Indazoles, benzothiazoles, benzisothiazoles, benzisoxazoles, and preparation and use thereof MEMORY PHARM CORP (US) 2007-07-18 CN 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 MCL1 4690/4885CPT1A 2594/4885CPT1B 4131/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 MCL1 4689/4885CPT1A 2529/4885CPT1B 4061/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 MCL1 4690/4885CPT1A 2594/4885CPT1B 4131/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 MCL1 4689/4885CPT1A 2529/4885CPT1B 4061/4885

“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.