SCHEMBL312822

SCHEMBL312822

CC(C)(C(=O)NN)C(=O)NN

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ CTSD P07339 1/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7377614 0.80 L3MBTL1 (0.42) TSHRCYP1A2NFKB1MAOAMAOB
SCHEMBL168766 0.80 — —
SCHEMBL2996071 0.78 — —
SCHEMBL20901908 0.78 — —
SCHEMBL29185897 0.78 TSHR (0.37) TSHRCYP1A2NFKB1MAOAMAOB
Hydrochloric Acid SCHEMBL2169126 0.78 — —
SCHEMBL2746571 0.78 — —
SCHEMBL28890203 0.77 HIF1A (0.32) TSHRCYP1A2NFKB1MAOAMAOB
SCHEMBL11495937 0.75 — —
Hydrochloric Acid SCHEMBL1451885 0.75 LMNA (0.40) TSHRCYP1A2NFKB1MAOAMAOB

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-101506154-B Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP 2015-06-17 — — CN disclosed
US-20120095103-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-04-19 — — US disclosed
US-8093425-B2 Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-01-10 — — US disclosed
CN-101506154-A Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP (US) 2009-08-12 — — CN disclosed
WO-2008136976-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2008-11-13 — — WO disclosed
US-4904724-A FREE RADICAL POLYMERIZATION OF CI-C20-ALKYL(METH)ACRYLATE AND UNSATURATED MONOMERS BASF AKTIENGESELLSCHAFT (DE) 1990-02-27 — — US disclosed
EP-0005051-B1 4-DESACETYL VLB C-3 CARBOXHYDRAZIDES, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 1982-12-01 — — EP disclosed
EP-0005051-A1 4-Desacetyl VLB C-3 carboxhydrazides, their preparation and formulations containing them ELI LILLY AND COMPANY (US) 1979-10-31 — — EP 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 (1 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-20120095103-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS HSP90AB1, HSF1, HSP90B1 TSHR 4361/4885CYP1A2 3740/4885NFKB1 628/4885

“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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