SCHEMBL1024214

SCHEMBL1024214

CC(=O)N(Cc1cccc(NC(=O)O)c1)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
DDX3X O00571 1/20 0.50
HTT P42858 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
GAA P10253 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
HSP90AA1 P07900 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL1024216 1.00 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL13623193 0.85 MMP1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1026610 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1026611 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1025356 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1025358 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1694714 0.79 KMT2A (0.77) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1694713 0.79 KMT2A (0.77) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1025247 0.78 CYP1A2 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1025248 0.78 CYP1A2 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1

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 4274/4885KMT2A 382/4885

“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.