SCHEMBL19174690

SCHEMBL19174690

N#Cc1cc([N+](=O)[O-])c(OCC2CC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MERTK Q12866 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
VCAM1 P19320 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 1/20 0.41
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
DPP4 P27487 1/20 0.37
PIN1 Q13526 1/20 0.36

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
SCHEMBL23909023 0.79 MEN1 (0.42) MEN1KMT2ASMN1; SMN2VCAM1L3MBTL1
SCHEMBL30153207 0.79 MEN1 (0.50) MEN1KMT2AMERTKSMN1; SMN2VCAM1
SCHEMBL3648533 0.77 MERTK (0.48) MERTKVCAM1MAPTCYP3A4ALDH1A1
SCHEMBL19175208 0.76 KMT2A (0.52) MEN1KMT2AMERTKVCAM1PDE4B
SCHEMBL16972810 0.75 MEN1 (0.49) MEN1KMT2AMERTKSMN1; SMN2VCAM1
SCHEMBL29758124 0.75 ALDH1A1 (0.56) KMT2ASMN1; SMN2VCAM1L3MBTL1MAPT
SCHEMBL23486753 0.75 ALDH1A1 (0.56) KMT2ASMN1; SMN2VCAM1L3MBTL1MAPT
SCHEMBL30845555 0.75 KMT2A (0.43) MEN1KMT2AMERTKSMN1; SMN2VCAM1
SCHEMBL30845549 0.75 MEN1 (0.43) MEN1KMT2AMERTKSMN1; SMN2VCAM1
SCHEMBL30845576 0.74 KMT2A (0.48) MEN1KMT2AMERTKSMN1; SMN2VCAM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 US disclosed
WO-2017125530-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 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 (2 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-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB MEN1 1957/4885KMT2A 2556/4885MERTK 685/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG MEN1 2139/4885KMT2A 2370/4885MERTK 803/4885

“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.