SCHEMBL1965601

SCHEMBL1965601

CCOC(=O)c1noc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TARBP2 Q15633 1/20 0.47
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRB2 P47870 1/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 1/20 0.45
ALOX5 P09917 3/20 0.44
TP53 P04637 1/20 0.44
TBK1 Q9UHD2 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL30440611 1.00 ELANE (0.49) ELANEALDH1A1SMN1; SMN2TARBP2GABRA1
SCHEMBL492231 0.89 TBK1 (0.48) ELANEALDH1A1SMN1; SMN2TARBP2GABRA1
SCHEMBL31435418 0.86 MAPT (0.54) ELANEALDH1A1SMN1; SMN2TARBP2LMNA
SCHEMBL17321037 0.86 MAPT (0.54) ELANEALDH1A1SMN1; SMN2TARBP2LMNA
Bicarbonate SCHEMBL6830564 0.84 TBK1 (0.45) ELANEALDH1A1SMN1; SMN2TARBP2GABRA1
SCHEMBL22518530 0.84 TSHR (0.51) ELANEALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL30442762 0.84 TSHR (0.51) ELANEALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL25408093 0.83 MAOB (0.55) ELANEALDH1A1SMN1; SMN2TARBP2TSHR
SCHEMBL13209975 0.83 THRB (0.51) ELANEALDH1A1LMNATSHRKDM4E
SCHEMBL31435424 0.83 MAOB (0.55) ELANEALDH1A1SMN1; SMN2TARBP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098699-A1 COMPOUNDS AND THEIR USES AS CD38 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-06-08 WO disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US 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
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 US disclosed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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 (6 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-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L ELANE 415/4885ALDH1A1 3768/4885SMN1; SMN2 599/4885
US-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 ELANE 2203/4885ALDH1A1 1862/4885SMN1; SMN2 1588/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 ELANE 2205/4885ALDH1A1 1806/4885SMN1; SMN2 1598/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 ELANE 2203/4885ALDH1A1 1862/4885SMN1; SMN2 1588/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ELANE 507/4885ALDH1A1 170/4885SMN1; SMN2 2022/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 ELANE 2205/4885ALDH1A1 1806/4885SMN1; SMN2 1598/4885

“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.