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
Hydrochloric Acid SCHEMBL2169126 0.78
SCHEMBL20901908 0.78
SCHEMBL29185897 0.78 TSHR (0.37) TSHRCYP1A2NFKB1MAOAMAOB
SCHEMBL2746571 0.78
SCHEMBL2996071 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.