SCHEMBL260444

SCHEMBL260444

CCOC(=O)c1ccc(SSc2ccc(C(=O)OCC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 4/20 0.61
MAPT P10636 3/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 3/20 0.61
PKM P14618 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
LMNA P02545 2/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
PTGER4 P35408 1/20 0.57
GSTP1 P09211 2/20 0.54
GSTM2 P28161 2/20 0.54
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 1/20 0.49
HPGD P15428 2/20 0.49
CA12 O43570 1/20 0.49

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
SCHEMBL4004627 0.88 KMT2A (0.58) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL5913906 0.85 ALDH1A1 (0.60) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL2960962 0.84 MAPT (0.69) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3487377 0.84 KMT2A (0.55) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL5917877 0.84 HPGD (0.66) KMT2AALDH1A1MAPTLMNAKDM4E
SCHEMBL1981486 0.84 KMT2A (0.67) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL4671094 0.82 ALDH1A1 (0.54) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL18376682 0.82 GSTP1 (0.60) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL1924901 0.82 GSTP1 (0.60) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL7473555 0.82 GSTP1 (0.61) KMT2AALDH1A1MAPTRAB9ANPC1

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 51 patents — showing the first 20. 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
EP-1543000-B1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2013-03-06 EP disclosed
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 US disclosed
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 US disclosed
US-8263619-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-11 US disclosed
US-8252811-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-08-28 US disclosed
WO-2012079079-A1 PRODUCTION OF INDUCED PLURIPOTENT STEM CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-06-14 WO disclosed
US-20120101094-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2012-04-26 US disclosed
US-8134003-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-03-13 US disclosed
EP-1531820-A1 ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Memory Pharmaceuticals Corporation (US) 2005-05-25 EP disclosed
US-20040229868-A1 Heterocyclic compounds, methods for the preparation thereof, and uses thereof MEMORY PHARMACEUTICALS CORP. 2004-11-18 US disclosed
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-15 US disclosed
US-20040132790-A1 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2004-07-08 US disclosed
WO-2004029050-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO disclosed
WO-2004019943-A1 ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES MEMORY PHARMACEUTICALS CORPORATION (US) 2004-03-11 WO disclosed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP disclosed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 WO disclosed
US-4550118-A ANTIULCER, ANTISECRETORY AGENT, HISTAMINE ANTAGONIST IKEDA MOHANDO CO., LTD. (JP) 1985-10-29 US disclosed
EP-0111685-A1 Benzazoles as histamine H2 receptor antagonists Ikeda Mohando Co., Ltd. (JP) 1984-06-27 EP 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-20120101094-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 KMT2A 2643/4885ALDH1A1 1268/4885MAPT 437/4885
US-20040229868-A1 Heterocyclic compounds, methods for the preparation thereof, and uses thereof CHRNA1, CHRNA4, CHRNA3 KMT2A 3218/4885ALDH1A1 370/4885MAPT 4211/4885
US-20040132790-A1 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof CHRNA5, CHRNA7, CHRNA3 KMT2A 2648/4885ALDH1A1 1431/4885MAPT 374/4885
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof ATG7, BECN1, SQSTM1 KMT2A 4516/4885ALDH1A1 4492/4885MAPT 1917/4885
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents NCF1, TEAD1, TYMS KMT2A 4083/4885ALDH1A1 1742/4885MAPT 2978/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 KMT2A 3112/4885ALDH1A1 1862/4885MAPT 429/4885

“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.