SCHEMBL13622923

SCHEMBL13622923

CNCc1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RECQL P46063 1/20 0.42
F2RL3 Q96RI0 1/20 0.41
CYP1A2 P05177 3/20 0.41
MAPT P10636 6/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
Hydrochloric Acid SCHEMBL1024616 0.98 MEN1 (0.44) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL23255818 0.84 LMNA (0.48) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL18427982 0.82 HTT (0.52) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL28382771 0.81 CYP1A2 (0.57) MEN1KMT2AHTTALDH1A1TSHR
SCHEMBL3596469 0.80 CYP3A4 (0.54) MEN1KMT2AHTTALDH1A1TSHR
SCHEMBL31267416 0.80 POLB (0.43) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL28128307 0.80 GPR35 (0.51) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL8168049 0.80 CA12 (0.41) MEN1KMT2AHTTALDH1A1TDP1
SCHEMBL14516285 0.79 LMNA (0.47) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL22690154 0.79 CYP1A2 (0.43) HTTALDH1A1TSHRTDP1HSD17B10

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 5 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
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 MEN1 1321/4885KMT2A 382/4885LMNA 4393/4885

“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.