SCHEMBL16147352

SCHEMBL16147352

CC(C)(C)c1ccc(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.73
MEN1 O00255 5/20 0.73
MAPT P10636 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
HTT P42858 3/20 0.73
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
LMNA P02545 2/20 0.73
MAPK1 P28482 2/20 0.73
AURKA O14965 1/20 0.73
PDPK1 O15530 1/20 0.73
JAK2 O60674 1/20 0.73
GMNN O75496 1/20 0.73
ALDH1A1 P00352 1/20 0.73
EGFR P00533 1/20 0.73
TP53 P04637 1/20 0.73
CYP1A2 P05177 1/20 0.73
LYN P07948 1/20 0.73
CHRM2 P08172 1/20 0.73
CYP3A4 P08684 1/20 0.73

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
SCHEMBL28461642 0.89 KMT2A (0.73) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL22032660 0.88 KMT2A (0.88) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL29617487 0.88 KMT2A (0.88) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL11764083 0.87 HTT (0.59) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL11764394 0.85 HTT (0.72) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL29617478 0.85 KMT2A (0.78) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL16160831 0.85 KMT2A (0.78) KMT2AMEN1MAPTSMN1; SMN2HTT
Niclosamide SCHEMBL16686086 0.85 KMT2A (0.95) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL25346525 0.84 KMT2A (0.81) KMT2AMEN1MAPTSMN1; SMN2HTT
Niclosamide SCHEMBL6662409 0.84 KMT2A (1.00) KMT2AMEN1MAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same NORTH CAROLINA CENTRAL UNIV (US) 2018-12-27 US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 US disclosed
WO-2014165816-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY (US) 2014-10-09 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-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same GLS2, PC, GLS KMT2A 1812/4885MEN1 1171/4885MAPT 2394/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS KMT2A 1812/4885MEN1 1171/4885MAPT 2394/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS KMT2A 1812/4885MEN1 1171/4885MAPT 2394/4885

“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.