SCHEMBL3228770

SCHEMBL3228770

C#CCOc1c(F)cc(C(=O)NCC2CCCCC2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC6 Q9UBN7 3/20 0.42
MLYCD O95822 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
MMP13 P45452 1/20 0.40
SCN9A Q15858 2/20 0.40
HSD11B1 P28845 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4240818 0.92 TDP1 (0.53) TDP1NPC1RAB9AHDAC6MLYCD
SCHEMBL4252787 0.91 TDP1 (0.51) TDP1NPC1RAB9AHDAC6MLYCD
SCHEMBL4249949 0.89 TDP1 (0.48) TDP1NPC1RAB9AHDAC6MLYCD
SCHEMBL4249956 0.86 TDP1 (0.44) TDP1HDAC6F2PRSS1PRSS2
SCHEMBL4242119 0.85 TDP1 (0.67) TDP1HDAC6MLYCDMEN1KMT2A
SCHEMBL4248962 0.84 TDP1 (0.65) TDP1KMT2AMMP13POLB
SCHEMBL3230082 0.84 POLB (0.47) TDP1NPC1RAB9AHDAC6MLYCD
SCHEMBL4240864 0.82 TDP1 (0.61) TDP1MEN1KMT2APOLB
SCHEMBL4245882 0.81 NPC1 (0.42) TDP1NPC1RAB9AHDAC6MLYCD
SCHEMBL4253070 0.81 HDAC6 (0.49) TDP1NPC1RAB9AHDAC6MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
EP-2151431-A1 AMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-02-10 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-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 TDP1 4368/4885NPC1 533/4885RAB9A 883/4885

“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.