SCHEMBL11973263

SCHEMBL11973263

CCc1ccc(NC(=S)c2ccc([N+](=O)[O-])c(C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.55
MEN1 O00255 8/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 7/20 0.52
LMNA P02545 4/20 0.52
MAPT P10636 10/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HTT P42858 3/20 0.51
RAB9A P51151 3/20 0.49
TSHR P16473 1/20 0.49
TP53 P04637 1/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL11973019 0.86 KMT2A (0.70) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL11973127 0.84 MEN1 (0.70) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL11972732 0.82 ALDH1A1 (0.57) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL11972935 0.81 MEN1 (0.54) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL11972956 0.80 MEN1 (0.60) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL13344094 0.74 MAPT (0.53) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL13167267 0.72 KMT2A (0.67) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL13187282 0.71 MEN1 (0.79) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL28792430 0.71 ALDH1A1 (0.73) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL2889619 0.70 TSHR (0.65) KMT2AMEN1GAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927584-B2 Synthesis of 2-(4-aminophenyl)benzothiazole derivatives and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-01-06 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140046290-A1 SYNTHESIS OF 2-(4-AMINOPHENYL)BENZOTHIAZOLE DERIVATIVES AND USE THEREOF CCNT1, PPOX, TPT1 KMT2A 2192/4885MEN1 1141/4885GAA 1366/4885
US-20120215154-A1 SYNTHESIS OF 2-(4-AMINOPHENYL) BENZOTHIAZOLE DERIVATIVES AND USE THEREOF HCCS, PAH, PPOX KMT2A 627/4885MEN1 1027/4885GAA 2093/4885

“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.