SCHEMBL13623197

SCHEMBL13623197

CC(C)(C)OC(=O)Nc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.66
ALDH1A1 P00352 4/20 0.65
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
RAB9A P51151 3/20 0.56
NPC1 O15118 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 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
SCHEMBL13623019 0.89 ALDH1A1 (0.65) TRPV1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL13623066 0.85 MAPT (0.50) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL31135773 0.84 SMN1; SMN2 (0.64) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL3222110 0.84 SMN1; SMN2 (0.64) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL13623130 0.84 MAPT (0.53) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL13623192 0.84 MEN1 (0.50) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL13623153 0.83 TRPV1 (0.47) TRPV1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL13623123 0.83 MEN1 (0.48) TRPV1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL10195848 0.83 MAPT (0.62) ALDH1A1RAB9ANPC1MAPTLMNA
SCHEMBL1072365 0.83 ALDH1A1 (0.79) TRPV1ALDH1A1MEN1KMT2ARAB9A

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
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 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

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 TRPV1 1707/4885ALDH1A1 2511/4885MEN1 1321/4885

“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.