SCHEMBL3247556

SCHEMBL3247556

CNC(=O)ONc1ccc(C)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ CYP3A4 P08684 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ KCNQ3 O43525 1/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ KCNQ4 P56696 1/20 0.32
▸ KCNQ5 Q9NR82 1/20 0.32

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
SCHEMBL10700607 0.77 TDP1 (0.46) TDP1MAPTALDH1A1CASP1CFTR
Hydrochloric Acid SCHEMBL1752687 0.75 TDP1 (0.45) TDP1MAPTALDH1A1CASP1CFTR
SCHEMBL10782684 0.75 SMN1; SMN2 (0.52) TDP1MAPTALDH1A1CFTRCYP3A4
SCHEMBL31314406 0.75 SMN1; SMN2 (0.52) TDP1MAPTALDH1A1CFTRCYP3A4
SCHEMBL3247553 0.72 MAPT (0.44) TDP1MAPTALDH1A1CASP1CFTR
SCHEMBL2855474 0.72 TDP1 (0.52) TDP1MAPTALDH1A1CASP1CFTR
SCHEMBL11589521 0.72 TDP1 (0.45) TDP1MAPTALDH1A1CASP1CFTR
SCHEMBL11320359 0.72 GNG2 (0.53) TDP1MAPTALDH1A1CFTRMEN1
SCHEMBL9515087 0.71 RAB9A (0.55) TDP1MAPTALDH1A1CYP3A4MEN1
SCHEMBL11280292 0.70 ALDH1A1 (0.52) TDP1MAPTALDH1A1CASP1CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 — — EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 — — EP disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 — — US disclosed
US-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression MORIARTY KEVIN J 2005-10-27 — — US disclosed
US-6906067-B2 N-heterocyclic inhibitors of TNF-α expression BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-14 — — US disclosed
EP-1409463-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION Bristol-Myers Squibb Company (US) 2004-04-21 — — EP disclosed
WO-2003002542-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-01-09 — — WO disclosed
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression PHARMACEOPEIA, INC. 2002-09-26 — — US disclosed
EP-1242385-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2002-09-25 — — EP disclosed
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression PHARMACOPEIA, INC. 2002-05-30 — — US disclosed
WO-2001047897-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2001-07-05 — — 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 (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-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, RELA, NFKBIA TDP1 2607/4885MAPT 3179/4885ALDH1A1 394/4885
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA TDP1 2228/4885MAPT 3376/4885ALDH1A1 274/4885
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA TDP1 2228/4885MAPT 3376/4885ALDH1A1 274/4885

“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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