SCHEMBL21960902

SCHEMBL21960902

Cc1cc([N+](=O)[O-])nn1CCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
ALDH1A1 P00352 4/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL21960849 0.77 ALDH1A1 (0.57) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL2428998 0.76 HTT (0.56) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL31280498 0.75 POLB (0.47) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL21964594 0.75 POLB (0.40) POLBMAPTSMN1; SMN2
SCHEMBL23880180 0.74 ALDH1A1 (0.48) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL23880184 0.74 POLB (0.41) POLBALDH1A1MEN1KMT2A
SCHEMBL20555764 0.74 HTT (0.50) POLBALDH1A1MEN1KMT2AHTT
SCHEMBL29200863 0.74 HTT (0.50) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL16061204 0.73 POLB (0.45) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL31105868 0.72 HTT (0.49) POLBALDH1A1MEN1KMT2AMAPT

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 POLB 1088/4885ALDH1A1 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.