SCHEMBL21961433

SCHEMBL21961433

Cc1cc([N+](=O)[O-])n(CC2CCN(CCF)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.36
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CRHR1 P34998 1/20 0.32
ATM Q13315 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL21960916 0.86 ACHE (0.39) SIGMAR1ALDH1A1MCOLN3CRHR1
SCHEMBL21960896 0.86 PIK3CD (0.39) MAP3K14SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL21961427 0.86 MAP3K14 (0.36) MAP3K14SIGMAR1ALDH1A1KCNH2SLC6A2
SCHEMBL21961429 0.85 MAP3K14 (0.37) MAP3K14SIGMAR1ALDH1A1MCOLN3KCNH2
SCHEMBL21964567 0.80 POLB (0.38) SIGMAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL21960972 0.80 MAP3K14 (0.40) MAP3K14DRD2MEN1KMT2A
SCHEMBL21960831 0.79 MAP3K14 (0.38) MAP3K14DRD2HTR2AHRH1MEN1
SCHEMBL21960380 0.79 BRD4 (0.36) CRHR1
SCHEMBL21960386 0.79 MAP3K14 (0.37) MAP3K14ALDH1A1MCOLN3
SCHEMBL21960387 0.78 BRD4 (0.37) MAP3K14SIGMAR1KCNH2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP 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-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE MAP3K14 4/4885SIGMAR1 3838/4885ALDH1A1 3872/4885

“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.