SCHEMBL3247553

SCHEMBL3247553

COC(=O)NNc1ccc(C)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ GAA P10253 7/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ AGTR1 P30556 2/20 0.39
▸ GFER P55789 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CFTR P13569 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HIF1A Q16665 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
SCHEMBL10782684 0.83 SMN1; SMN2 (0.52) MAPTTDP1SMN1; SMN2ALDH1A1CFTR
SCHEMBL31314406 0.83 SMN1; SMN2 (0.52) MAPTTDP1SMN1; SMN2ALDH1A1CFTR
SCHEMBL10700607 0.74 TDP1 (0.46) MAPTTDP1SMN1; SMN2GAAALDH1A1
SCHEMBL2232787 0.74 GAA (0.56) MAPTTDP1SMN1; SMN2GAAALDH1A1
Hydrochloric Acid SCHEMBL1752687 0.73 TDP1 (0.45) MAPTTDP1SMN1; SMN2GAAALDH1A1
SCHEMBL2855474 0.73 TDP1 (0.52) MAPTTDP1GAAALDH1A1CASP1
SCHEMBL11320359 0.73 GNG2 (0.53) MAPTTDP1SMN1; SMN2ALDH1A1CFTR
SCHEMBL9136264 0.72 GPR35 (0.53) MAPTTDP1SMN1; SMN2CFTRMEN1
SCHEMBL3247556 0.72 TDP1 (0.43) MAPTTDP1SMN1; SMN2ALDH1A1CASP1
SCHEMBL9515087 0.72 RAB9A (0.55) MAPTTDP1SMN1; SMN2GAAALDH1A1

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 MAPT 3179/4885TDP1 2607/4885SMN1; SMN2 2577/4885
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA MAPT 3376/4885TDP1 2228/4885SMN1; SMN2 2454/4885
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA MAPT 3376/4885TDP1 2228/4885SMN1; SMN2 2454/4885

“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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