SCHEMBL1964671

SCHEMBL1964671

COc1ccc2c(c1)c(C(=O)O)nn2C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.55
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ELANE P08246 1/20 0.48
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
KDM4C Q9H3R0 1/20 0.46
POLB P06746 3/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4782808 0.88 HTR3A (0.55) HTR3AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL12582640 0.87 HTR3A (0.54) HTR3AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1966056 0.81 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL23093690 0.80 KDM4E (0.46) HTR3AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10254085 0.80 KDM4E (0.45) HTR3AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10253820 0.78 KDM4C (0.52) KDM4EELANEKMT2AMAPTKDM4C
SCHEMBL15025470 0.78 KDM4C (0.49) KDM4EALDH1A1HSD17B10HPGDELANE
SCHEMBL1965759 0.78 ELANE (0.48) HTR3AKDM4EALDH1A1ELANEHTT
SCHEMBL1964971 0.77 HTR3A (0.51) HTR3AKDM4EALDH1A1ELANEKMT2A
SCHEMBL18322342 0.77 ALDH1A1 (0.63) ALDH1A1ELANEGAALMNAPKM

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 HTR3A 352/4885KDM4E 3273/4885ALDH1A1 1862/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 HTR3A 367/4885KDM4E 3317/4885ALDH1A1 1806/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 HTR3A 352/4885KDM4E 3273/4885ALDH1A1 1862/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 HTR3A 367/4885KDM4E 3317/4885ALDH1A1 1806/4885

“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.