SCHEMBL4876434

SCHEMBL4876434

CCc1c(C(=O)O)ccc(F)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
FBP1 P09467 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL7941828 0.89 TP53 (0.43) HTTTP53FBP1ALDH1A1TSHR
SCHEMBL17542259 0.85 RARB (0.42) HTTTP53ALDH1A1TSHRLMNA
SCHEMBL11675963 0.85 RARB (0.42) HTTTP53ALDH1A1TSHRLMNA
SCHEMBL10487749 0.83 ALDH1A1 (0.39) HTTTP53FBP1ALDH1A1TSHR
SCHEMBL1538857 0.81 ALDH1A1 (0.51) HTTTP53FBP1ALDH1A1TSHR
SCHEMBL4447040 0.81 TP53 (0.38) HTTTP53FBP1ALDH1A1TSHR
SCHEMBL8977186 0.81 GRIN2D (0.40) HTTTP53FBP1ALDH1A1TSHR
SCHEMBL10606796 0.81 TP53 (0.38) HTTTP53FBP1ALDH1A1TSHR
SCHEMBL10951675 0.80 DTYMK (0.39) HTTTP53FBP1ALDH1A1TSHR
SCHEMBL3127548 0.79 TP53 (0.37) HTTTP53FBP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108697710-B Novel substituted cyanoindoline derivatives as NIK inhibitors 杨森制药有限公司 2022-02-18 CN disclosed
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
EP-3405196-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS Janssen Pharmaceutica NV (BE) 2018-11-28 EP disclosed
WO-2017125530-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 WO disclosed
US-8524917-B2 6-substituted indole-3-carboxylic acid amide compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2013-09-03 US disclosed
EP-2594555-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA Pharmaceutical Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis ALLERGAN, INC. 2008-07-17 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-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis PTGIR, S1PR1, TBXA2R HTT 4393/4885TP53 4095/4885FBP1 3169/4885
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB HTT 4168/4885TP53 1033/4885FBP1 2261/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG HTT 4239/4885TP53 1184/4885FBP1 1570/4885

“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.