SCHEMBL21961316

SCHEMBL21961316

Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(F)(F)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAP3K14 Q99558 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ AR P10275 3/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ GRM4 Q14833 1/20 0.33

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
SCHEMBL23880241 0.79 MAP3K14 (0.37) KMT2AMAP3K14CYP2D6HRH3GRM4
SCHEMBL2119388 0.73 KDM4E (0.50) ALDH1A1MEN1KMT2AF2PLAU
SCHEMBL19010745 0.72 L3MBTL1 (0.49) L3MBTL1ALDH1A1MEN1KMT2AAR
SCHEMBL3058408 0.71 HTT (0.38) ALDH1A1MEN1KMT2AF2PLAU
SCHEMBL6476531 0.69 BAZ2B (0.42) ALDH1A1MEN1KMT2AMAPT
SCHEMBL21961311 0.68 NR2E1 (0.39) L3MBTL1ALDH1A1KMT2AMAP3K14GRM4
SCHEMBL30530971 0.68 ALDH1A1 (0.47) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27900268 0.67 CYP1A2 (0.35) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL28959660 0.66 PRSS1 (0.37) ALDH1A1MEN1KMT2AF2PLAU
SCHEMBL18029670 0.66 LMNA (0.46) L3MBTL1ALDH1A1MEN1KMT2AELANE

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 L3MBTL1 2728/4885ALDH1A1 3872/4885MEN1 2801/4885

“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.

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