SCHEMBL1075396

SCHEMBL1075396

O=C(O)Nc1cccc(SCCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TRPV1 Q8NER1 1/20 0.54
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 2/20 0.50
DDX3X O00571 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL1075394 1.00 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TRPV1MEN1KMT2A
SCHEMBL1075239 0.89 MEN1 (0.64) ALDH1A1SMN1; SMN2TRPV1MEN1KMT2A
SCHEMBL1075240 0.89 MEN1 (0.64) ALDH1A1SMN1; SMN2TRPV1MEN1KMT2A
SCHEMBL13623123 0.84 MEN1 (0.48) ALDH1A1SMN1; SMN2TRPV1MEN1KMT2A
SCHEMBL1073437 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TRPV1MEN1KMT2A
SCHEMBL1073442 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TRPV1MEN1KMT2A
SCHEMBL1027626 0.83 MEN1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL1027628 0.83 MEN1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL1072365 0.81 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2TRPV1MEN1KMT2A
SCHEMBL1072370 0.81 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2TRPV1MEN1KMT2A

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 ALDH1A1 2511/4885SMN1; SMN2 4274/4885TRPV1 1707/4885

“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.