SCHEMBL11973019

SCHEMBL11973019

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.70
MEN1 O00255 7/20 0.70
GAA P10253 2/20 0.70
ALDH1A1 P00352 3/20 0.69
LMNA P02545 2/20 0.69
MAPT P10636 9/20 0.63
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.61
SMN1; SMN2 Q16637 6/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56

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
SCHEMBL11973263 0.86 KMT2A (0.55) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL13187282 0.85 MEN1 (0.79) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL13167267 0.85 KMT2A (0.67) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL30409295 0.84 MEN1 (0.73) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL11972772 0.84 MEN1 (0.90) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL8714517 0.82 MEN1 (0.70) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL11973269 0.81 MEN1 (0.68) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL26451944 0.81 KMT2A (0.61) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL11972987 0.80 LMNA (0.70) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL13561105 0.80 MAPT (0.76) 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.