SCHEMBL23118050

SCHEMBL23118050

N#Cc1cc(Cl)cc([N+](=O)[O-])c1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 5/20 0.60
▸ MAPT P10636 3/20 0.41
▸ GRIA1 P42261 2/20 0.41
▸ GRIA2 P42262 2/20 0.41
▸ GRIA3 P42263 2/20 0.41
▸ GRIA4 P48058 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ GRM6 O15303 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL31374260 1.00 VCAM1 (0.60) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL31419521 0.82 VCAM1 (0.64) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL11504122 0.82 VCAM1 (0.64) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL9693289 0.81 TSHR (0.48) VCAM1ALOX15HPGDTDP1ALDH1A1
SCHEMBL19072193 0.81 VCAM1 (0.53) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL20242144 0.79 GPR35 (0.47) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL31374335 0.79 GPR35 (0.51) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL16096964 0.79 VCAM1 (0.60) VCAM1MAPTHPGDTDP1POLB
SCHEMBL31374276 0.79 VCAM1 (0.60) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL16122649 0.77 KHK (0.41) VCAM1HPGDALDH1A1TSHREPAS1

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-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

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 VCAM1 1275/4885MAPT 3591/4885GRIA1 3322/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG VCAM1 1163/4885MAPT 3533/4885GRIA1 3101/4885

“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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