SCHEMBL1626328

SCHEMBL1626328

COC(=O)CCCCCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 10/20 0.82
HDAC3 O15379 5/20 0.82
HDAC4 P56524 5/20 0.82
HDAC1 Q13547 5/20 0.82
HDAC7 Q8WUI4 5/20 0.82
HDAC2 Q92769 5/20 0.82
HDAC10 Q969S8 5/20 0.82
HDAC11 Q96DB2 5/20 0.82
HDAC8 Q9BY41 5/20 0.82
HDAC6 Q9UBN7 5/20 0.82
HDAC9 Q9UKV0 5/20 0.82
HDAC5 Q9UQL6 5/20 0.82
PRKAA1 Q13131 7/20 0.75
PRKAA2 P54646 6/20 0.75
KDR P35968 8/20 0.73
TLK2 Q86UE8 3/20 0.73
FGFR1 P11362 6/20 0.72
PLK4 O00444 2/20 0.70
DCLK1 O15075 2/20 0.70
PDPK1 O15530 2/20 0.70

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
SCHEMBL1626329 1.00 PDGFRB (0.82) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1626727 0.97 HDAC3 (0.81) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1626728 0.97 HDAC3 (0.81) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL3934537 0.94 PDGFRB (0.76) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1626040 0.93 PDGFRB (0.81) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1626038 0.93 PDGFRB (0.81) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1625556 0.92 PDGFRB (0.84) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1625652 0.92 PDGFRB (0.84) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL4016628 0.92 PDGFRB (0.84) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL1625555 0.92 PDGFRB (0.84) PDGFRBHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273785-B2 Substituted 2-indolinone as PTK inhibitors containing a zinc binding moiety CURIS, INC. (US) 2012-09-25 US disclosed
US-7928136-B2 Inhibitors of protein tyrosine kinase (PTK) receptors; diabetes, an autoimmune disorder, a hyperproliferation disorder, restenosis, fibrosis, psoriasis, von Heppel-Lindau disease, osteoarthritis; 5-((Z)-(5-fluoro-2-oxoindolin-3-ylidene)methyl)-N-hydroxy-2,4-dimethyl-1H-pyrrole-3-carboxamide CURIS, INC. (US) 2011-04-19 US disclosed
WO-2009014941-A1 3-(4-AMIDOPYRROL-2-YLMETHLIDENE)-2-INDOLINONE DERIVATIVES AS MULTI-TARGET PROTEIN KINASE INHIBITORS AND HISTONE DEACETYLASE INHIBITORS SHENZEN CHIPSCREEN BIOSCIENCE, LTD. (CN) 2009-01-29 WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080125478-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-05-29 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 (2 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 PDGFRB 1790/4885HDAC3 7/4885HDAC4 5/4885
US-20080125478-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC2, HDAC1, BAZ2A PDGFRB 215/4885HDAC3 30/4885HDAC4 14/4885

“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.