SCHEMBL20939751

SCHEMBL20939751

COc1cc2c(cc1[N+](=O)[O-])CCN2C(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
PLK1 P53350 2/20 0.41
CASP3 P42574 1/20 0.40
CASP2 P42575 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2207115 0.95 HTR1A (0.50) HTR1AHTR1DHTR1BKMT2AMEN1
SCHEMBL2203318 0.86 PLK1 (0.52) HTR1AHTR1DHTR1BKMT2AMEN1
SCHEMBL26644126 0.85 NOTUM (0.52) HTR1AHTR1DHTR1BKMT2AMEN1
SCHEMBL23817954 0.85 ALDH1A1 (0.50) HTR1AHTR1DHTR1BKMT2AMEN1
SCHEMBL2205322 0.83 HTR1A (0.50) HTR1AHTR1DHTR1BKMT2AMEN1
SCHEMBL2203592 0.83 HTR1A (0.52) HTR1AHTR1DHTR1BKMT2AMEN1
SCHEMBL2201991 0.81 PLK1 (0.54) HTR1AHTR1DHTR1BKMT2AMEN1
SCHEMBL2206786 0.81 SMN1; SMN2 (0.53) HTR1AHTR1DHTR1BKMT2AMEN1
SCHEMBL2206626 0.80 MEN1 (0.53) HTR1AHTR1DHTR1BKMT2AMEN1
SCHEMBL2204135 0.80 HTR1A (0.47) HTR1AHTR1DHTR1BKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 US disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 US disclosed
EP-3478673-B1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-16 EP disclosed
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-04-25 US 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 (3 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-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 HTR1A 4857/4885HTR1D 4742/4885HTR1B 4722/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB HTR1A 4814/4885HTR1D 4531/4885HTR1B 4501/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 HTR1A 4857/4885HTR1D 4742/4885HTR1B 4722/4885

“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.