SCHEMBL2245276

SCHEMBL2245276

Cc1cc(-c2nc3ccccc3s2)ccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.63
MMP2 P08253 1/20 0.63
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63
MMP13 P45452 1/20 0.63
MAPT P10636 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 3/20 0.53
BLM P54132 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
PPARG P37231 1/20 0.48

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
SCHEMBL12687416 0.90 APP (0.63) APPMMP2MMP9MMP8MMP13
SCHEMBL1666128 0.88 APP (0.68) APPMMP2MMP9MMP8MMP13
SCHEMBL2139655 0.84 APP (0.54) APPMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12980621 0.82 MMP2 (0.63) APPMMP2MMP9MMP8MMP13
SCHEMBL11972979 0.82 RORC (0.49) APPMMP2MMP9MMP8MMP13
SCHEMBL11972685 0.82 APP (0.58) APPMEN1KMT2ARAB9AGLA
SCHEMBL2246561 0.82 APP (0.63) APPMMP2MMP9MMP8MMP13
SCHEMBL9436073 0.82 APP (0.63) APPMMP2MMP9MMP8MMP13
SCHEMBL8532307 0.82 APP (0.67) APPMMP2MMP9MMP8MMP13
SCHEMBL11973313 0.81 DYRK1A (0.46) APPMMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 EP disclosed
US-8927584-B2 Synthesis of 2-(4-aminophenyl)benzothiazole derivatives and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-01-06 US disclosed
US-8680155-B2 Synthesis and antitumor activity of novel bis(benzylidene-benzenamine)disulfides KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-03-25 US disclosed
US-8680155-B2 Synthesis and antitumor activity of novel bis(benzylidene-benzenamine)disulfides KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-03-25 US disclosed
US-20140046290-A1 SYNTHESIS OF 2-(4-AMINOPHENYL)BENZOTHIAZOLE DERIVATIVES AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-02-13 US disclosed
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2014-01-16 US disclosed
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2014-01-09 US disclosed
US-8592603-B2 Synthesis of 2-(4-aminophenyl) benzothiazole derivatives and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-11-26 US disclosed
US-8518980-B2 Treatment of Duchenne muscular dystrophy SUMMIT CORPORATION PLC (GB) 2013-08-27 US disclosed
US-8501713-B2 Drug combinations for the treatment of duchenne muscular dystrophy SUMMIT CORPORATION PLC (GB) 2013-08-06 US disclosed
US-20120283475-A1 SYNTHESIS AND ANTITUMOR ACTIVITY OF NOVEL BIS(BENZYLIDENE-BENZENAMINE)DISULFIDES KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-11-08 US disclosed
US-20120215154-A1 SYNTHESIS OF 2-(4-AMINOPHENYL) BENZOTHIAZOLE DERIVATIVES AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-08-23 US disclosed
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 US disclosed
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT (OXFORD) LIMITED (GB) 2009-03-19 US disclosed
EP-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 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 (7 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-20120283475-A1 SYNTHESIS AND ANTITUMOR ACTIVITY OF NOVEL BIS(BENZYLIDENE-BENZENAMINE)DISULFIDES SKP1, CDC25C, CCND1 APP 3476/4885MMP2 1635/4885MMP9 2359/4885
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 APP 4017/4885MMP2 1625/4885MMP9 2761/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 APP 4017/4885MMP2 1625/4885MMP9 2761/4885
US-20140046290-A1 SYNTHESIS OF 2-(4-AMINOPHENYL)BENZOTHIAZOLE DERIVATIVES AND USE THEREOF CCNT1, PPOX, TPT1 APP 3066/4885MMP2 538/4885MMP9 1134/4885
US-20120215154-A1 SYNTHESIS OF 2-(4-AMINOPHENYL) BENZOTHIAZOLE DERIVATIVES AND USE THEREOF HCCS, PAH, PPOX APP 4468/4885MMP2 2347/4885MMP9 3205/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 APP 4337/4885MMP2 2947/4885MMP9 3993/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 APP 4337/4885MMP2 2947/4885MMP9 3993/4885

“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.