SCHEMBL1075239

SCHEMBL1075239

O=C(O)Nc1cccc(SCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2C9 P11712 1/20 0.64
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 3/20 0.55
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
DDX3X O00571 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
TRPV1 Q8NER1 1/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL1075240 1.00 MEN1 (0.64) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL1075396 0.89 ALDH1A1 (0.55) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL1075394 0.89 ALDH1A1 (0.55) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL1026611 0.86 ALDH1A1 (0.60) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL1026610 0.86 ALDH1A1 (0.60) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL13623084 0.83 MEN1 (0.53) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL1073442 0.82 ALDH1A1 (0.55) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL1073437 0.82 ALDH1A1 (0.55) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL13722496 0.81 MEN1 (0.60) MEN1KMT2ACYP3A4CYP2C19CYP2C9
SCHEMBL1694713 0.80 KMT2A (0.77) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (1 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK MEN1 1321/4885KMT2A 382/4885CYP3A4 3025/4885

“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.