SCHEMBL1984342

SCHEMBL1984342

COc1cccc(NC(=S)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.69
MEN1 O00255 7/20 0.69
NPC1 O15118 4/20 0.69
MAPT P10636 7/20 0.64
ALDH1A1 P00352 5/20 0.64
GAA P10253 2/20 0.64
KDM4E B2RXH2 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.61
POLB P06746 1/20 0.61
RAB9A P51151 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL8392815 0.88 MEN1 (0.55) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL28397435 0.86 KMT2A (0.67) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL30362728 0.86 KMT2A (0.67) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL1986154 0.86 KMT2A (0.74) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL13391762 0.85 KMT2A (0.69) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL1983324 0.84 KMT2A (0.55) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL2633338 0.84 MEN1 (0.66) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL2061371 0.84 MEN1 (0.66) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL12422437 0.83 ALOX5 (0.61) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL4118579 0.82 KMT2A (0.72) KMT2AMEN1NPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 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-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 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-8592603-B2 Synthesis of 2-(4-aminophenyl) benzothiazole derivatives and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-11-26 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
EP-2338059-A1 LIGANDS FOR AGGREGATED TAU MOLECULES Wista Laboratories Ltd. (SG) 2011-06-29 EP disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 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 (3 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 KMT2A 3452/4885MEN1 3205/4885NPC1 1265/4885
US-20140046290-A1 SYNTHESIS OF 2-(4-AMINOPHENYL)BENZOTHIAZOLE DERIVATIVES AND USE THEREOF CCNT1, PPOX, TPT1 KMT2A 2192/4885MEN1 1141/4885NPC1 1573/4885
US-20120215154-A1 SYNTHESIS OF 2-(4-AMINOPHENYL) BENZOTHIAZOLE DERIVATIVES AND USE THEREOF HCCS, PAH, PPOX KMT2A 627/4885MEN1 1027/4885NPC1 1317/4885

“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.