Sugi Predict

Sugi Predict / Compounds / SCHEMBL20915014

SCHEMBL20915014

SCHEMBL20915014

O=[N+]([O-])c1cc(F)cc2[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ AHR P35869 2/20 0.39
▸ VCAM1 P19320 1/20 0.39
▸ HIF1A Q16665 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ TYMS P04818 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GRIK1 P39086 1/20 0.35
▸ GRIA1 P42261 1/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ GRIA3 P42263 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
SCHEMBL8487610 0.81 TDP1 (0.50) ALDH1A1TDP1HIF1ATSHRLMNA
SCHEMBL4019558 0.80 CYP1A2 (0.37) ALDH1A1TDP1ATMAHRVCAM1
SCHEMBL31399705 0.80 ALDH1A1 (0.59) ALDH1A1TDP1ATMVCAM1HIF1A
SCHEMBL31363812 0.79 ALDH1A1 (0.42) ALDH1A1TDP1VCAM1SIRT2TSHR
SCHEMBL29507030 0.79 HTR6 (0.43) ALDH1A1TDP1AHRSIRT2TSHR
SCHEMBL8488007 0.79 ALDH1A1 (0.47) ALDH1A1AHRVCAM1TSHRGRIN2D
SCHEMBL15910939 0.79 HTR6 (0.43) ALDH1A1TDP1AHRSIRT2TSHR
SCHEMBL259652 0.79 GRIN2D (0.49) ALDH1A1TDP1SIRT2TSHRGRIN2D
SCHEMBL18496993 0.77 SIRT2 (0.41) ALDH1A1TDP1ATMVCAM1SIRT2
SCHEMBL15475106 0.77 XDH (0.46) ALDH1A1VCAM1SIRT2TSHRGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689645-B Cyanoindoline derivatives as NIK inhibitors 杨森制药有限公司 2022-06-03 — — CN disclosed
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 ALDH1A1 4311/4885TDP1 1385/4885ATM 306/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB ALDH1A1 4427/4885TDP1 1371/4885ATM 352/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 ALDH1A1 4311/4885TDP1 1385/4885ATM 306/4885

“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.