SCHEMBL19174875

SCHEMBL19174875

Cc1ccc(OC2CCN(C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 6/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
ALK Q9UM73 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.44
AGTR1 P30556 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
PKM P14618 1/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
S1PR4 O95977 1/20 0.42
MAPT P10636 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
SCHEMBL31587114 0.89 TSHR (0.58) ALDH1A1KDM4ETDP1TSHRCYP3A4
SCHEMBL22520244 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1TSHRCYP3A4
SCHEMBL14862583 0.85 KDM4E (0.45) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL19174833 0.85 NOS3 (0.52) ALDH1A1KDM4EKMT2AALKNPC1
SCHEMBL955601 0.85 RAB9A (0.45) ALDH1A1KDM4EKMT2AALKRAB9A
SCHEMBL1958249 0.82 MAPT (0.47) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL19175501 0.82 ALK (0.58) TDP1MEN1KMT2AALKMAPT
SCHEMBL2749497 0.82 MAPT (0.49) ALDH1A1KDM4ETDP1CYP3A4MEN1
SCHEMBL30820471 0.79 KDM4E (0.41) KDM4EHTR2CHTR2BMAPK1
SCHEMBL29246386 0.79 SIRT6 (0.61) ALDH1A1MEN1KMT2ALMNAMAPT

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 ALDH1A1 4296/4885KDM4E 1897/4885TDP1 1777/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG ALDH1A1 4076/4885KDM4E 1951/4885TDP1 1942/4885

“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.