SCHEMBL21964568

SCHEMBL21964568

CC(C)CCc1[nH]ncc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NOS1 P29475 4/20 0.37
MAPT P10636 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL18418892 0.78 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2NOS1MAPTCYP3A4
SCHEMBL971909 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NOS1MAPTCYP3A4
SCHEMBL15528272 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NOS1MAPTCYP3A4
SCHEMBL9357312 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NOS1MAPTCYP3A4
SCHEMBL2549735 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NOS1MAPTCYP3A4
SCHEMBL27895476 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NOS1MAPTCYP3A4
SCHEMBL28758091 0.72 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2NOS1MAPTCYP3A4
SCHEMBL9355658 0.71 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2NOS1MAPTCYP3A4
SCHEMBL5021113 0.70 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NOS1MAPTCYP3A4
SCHEMBL28033273 0.69 NPC1 (0.35) ALDH1A1NOS1MAPTCYP3A4CYP2C19

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 ALDH1A1 3872/4885SMN1; SMN2 4338/4885NOS1 872/4885

“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.