SCHEMBL1024076

SCHEMBL1024076

O=C(O)Nc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SENP5 Q96HI0 2/20 0.60
SENP2 Q9HC62 2/20 0.60
SENP1 Q9P0U3 2/20 0.60
MAPT P10636 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
LMNA P02545 3/20 0.60
POLB P06746 1/20 0.59
BLM P54132 1/20 0.59
GAA P10253 2/20 0.58
GLA P06280 1/20 0.57
ALOX5 P09917 1/20 0.57
THRA P10827 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 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
SCHEMBL1024073 1.00 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2SENP5SENP2
SCHEMBL13633077 0.87 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2SENP5SENP2
SCHEMBL13670025 0.87 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2SENP5SENP2
SCHEMBL1083633 0.86 MEN1 (0.77) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL13623004 0.84 SENP5 (0.54) ALDH1A1HPGDSMN1; SMN2SENP5SENP2
SCHEMBL1028237 0.83 KMT2A (0.78) ALDH1A1SENP1MAPTMEN1KMT2A
SCHEMBL4156900 0.83 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL1028236 0.83 KMT2A (0.78) ALDH1A1SENP1MAPTMEN1KMT2A
SCHEMBL13623008 0.81 ALDH1A1 (0.63) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL31546677 0.81 ALDH1A1 (0.63) ALDH1A1HPGDSMN1; SMN2MAPTMEN1

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 2511/4885HPGD 4536/4885SMN1; SMN2 4274/4885

“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.