SCHEMBL451123

SCHEMBL451123

CN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1cccc(F)c1)C(=S)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
KMT2A Q03164 3/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 3/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PARP1 P09874 1/20 0.37
GAA P10253 1/20 0.36
KAT6A Q92794 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
NPC1 O15118 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35

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
SCHEMBL464655 0.86 HSP90AA1 (0.68) HSP90AA1HSP90AB1KMT2ACES1LMNA
SCHEMBL12808676 0.84 HSP90AA1 (0.69) HSP90AA1HSP90AB1KMT2ACES2CES1
SCHEMBL447714 0.81 HSP90AA1 (0.55) HSP90AA1HSP90AB1KMT2AGAAKAT6A
SCHEMBL449018 0.81 HSP90AA1 (0.55) HSP90AA1HSP90AB1KMT2AGAAKAT6A
SCHEMBL13042578 0.80 HSP90AA1 (0.54) HSP90AA1HSP90AB1KMT2ACES2CES1
SCHEMBL446362 0.80 HSP90AA1 (0.63) HSP90AA1HSP90AB1KMT2AHDAC1HDAC6
SCHEMBL445761 0.80 HSP90AA1 (0.59) HSP90AA1HSP90AB1KMT2ALMNAGAA
SCHEMBL15621595 0.80 HSP90AA1 (0.51) HSP90AA1HSP90AB1KMT2ALMNAGAA
SCHEMBL445921 0.80 HSP90AA1 (0.49) HSP90AA1HSP90AB1KMT2AHDAC1HDAC6
SCHEMBL445596 0.80 HSP90AA1 (0.59) HSP90AA1HSP90AB1KMT2AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2016-03-10 US disclosed
WO-2014179528-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2014-11-06 WO disclosed
US-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 US disclosed
EP-2370402-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS Synta Pharmaceuticals Corp. (US) 2011-10-05 EP disclosed
WO-2010065512-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2010-06-10 WO disclosed
WO-2010065512-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2010-06-10 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 (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-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS MYC, NME2, TP53 HSP90AA1 4108/4885HSP90AB1 3367/4885KMT2A 2381/4885
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS PKD1, PKD2, PCNA HSP90AA1 2300/4885HSP90AB1 1711/4885KMT2A 1925/4885

“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.