SCHEMBL1025482

SCHEMBL1025482

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
PDE7A Q13946 1/20 0.51
HTT P42858 2/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.50
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HSP90AA1 P07900 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
CTSB P07858 1/20 0.47
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
EPHX1 P07099 1/20 0.44

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
SCHEMBL1024015 0.87 ALDH1A1 (0.57) ALDH1A1PDE7AHTTPOLBLMNA
SCHEMBL13722496 0.85 MEN1 (0.60) ALDH1A1HTTPOLBLMNATSHR
SCHEMBL8671668 0.82 MEN1 (0.60) ALDH1A1HTTPOLBLMNATSHR
SCHEMBL1027622 0.79 ALDH1A1 (0.57) ALDH1A1HTTPOLBLMNATSHR
SCHEMBL9934096 0.78 POLB (0.56) ALDH1A1PDE7AHTTPOLBLMNA
SCHEMBL1075239 0.77 MEN1 (0.64) ALDH1A1HTTPOLBLMNAMAPT
SCHEMBL1075240 0.77 MEN1 (0.64) ALDH1A1HTTPOLBLMNAMAPT
SCHEMBL1323306 0.76 MAOB (0.52) ALDH1A1POLBMEN1CYP3A4KMT2A
SCHEMBL3244533 0.76 TSHR (0.65) ALDH1A1HTTPOLBLMNATSHR
SCHEMBL3240297 0.76 TSHR (0.65) ALDH1A1HTTPOLBLMNATSHR

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 9 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
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
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
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US 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
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 2511/4885PDE7A 3008/4885HTT 2476/4885

“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.