SCHEMBL301479

SCHEMBL301479

CCN(CC)c1ccc(C(=S)C(=S)c2ccccc2)cc1.CCN(CC)c1ccc(C(=S)C(=S)c2ccccc2)cc1.[Pd]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
HDAC6 Q9UBN7 2/20 0.51
CNR2 P34972 2/20 0.49
HSD11B1 P28845 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NOX1 Q9Y5S8 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ESRRG P62508 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL9057697 0.96 TDP1 (0.51) TDP1HDAC6CNR2HSD11B1MEN1
SCHEMBL610430 0.87 TDP1 (0.53) TDP1HDAC6CNR2HSD11B1MEN1
Benzophenone SCHEMBL10489584 0.79 HPGD (0.63) TDP1HDAC6CNR2HSD11B1MEN1
SCHEMBL14982110 0.79 RAB9A (0.63) TDP1HDAC6CNR2HSD11B1MEN1
SCHEMBL8927062 0.79 HSD11B1 (0.54) TDP1HDAC6CNR2HSD11B1MEN1
SCHEMBL609137 0.79 MEN1 (0.63) TDP1HDAC6CNR2HSD11B1MEN1
SCHEMBL51623 0.79 HPGD (0.63) TDP1HDAC6CNR2HSD11B1MEN1
SCHEMBL611209 0.78 ALDH1A1 (0.52) TDP1HDAC6CNR2HSD11B1MEN1
SCHEMBL8579335 0.78 TDP1 (0.51) TDP1HDAC6CNR2HSD11B1MEN1
SCHEMBL8579332 0.78 TDP1 (0.51) TDP1HDAC6CNR2HSD11B1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
EP-2404908-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST Teijin Pharma Limited (JP) 2012-01-11 EP disclosed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 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 (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-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 TDP1 1180/4885HDAC6 2559/4885CNR2 3937/4885

“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.