SCHEMBL19175042

SCHEMBL19175042

COCCOc1cc(C2=CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.42
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ CTSB P07858 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ EGFR P00533 3/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL4772911 0.79 PDGFRB (0.44) NPC1RAB9AAAK1KMT2ASMN1; SMN2
SCHEMBL31094848 0.72 MAPT (0.57) NPC1RAB9AKMT2ASMN1; SMN2MAPK14
SCHEMBL30868462 0.70 KDM4E (0.46) CHEK1CYP11B1CYP11B2NPC1RAB9A
SCHEMBL29382840 0.70 NPC1 (0.54) CHEK1NPC1RAB9ARECQLKMT2A
SCHEMBL15508187 0.70 NPC1 (0.50) CHEK1NPC1RAB9ARECQLKMT2A
SCHEMBL2833379 0.70 NPC1 (0.54) CHEK1NPC1RAB9ARECQLKMT2A
SCHEMBL5512119 0.70 RECQL (0.50) CHEK1NPC1RAB9ARECQLKMT2A
SCHEMBL20225779 0.70 HTR1D (0.38) MAPK14SCN9AHTR1DMAPT
SCHEMBL25220823 0.69 MAPK14 (0.52) RECQLKMT2ASMN1; SMN2MAPK14MAPT
SCHEMBL31327471 0.69 LMNA (0.51) NPC1RAB9ARECQLKMT2ASMN1; SMN2

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 CHEK1 257/4885CYP11B1 838/4885CYP11B2 1116/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG CHEK1 336/4885CYP11B1 953/4885CYP11B2 1189/4885

“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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