SCHEMBL2285976

SCHEMBL2285976

C#CCOc1cc(Cl)c(C(=O)NCC2CCCCC2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.41
SCN9A Q15858 4/20 0.41
CNR2 P34972 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRM1 P11229 2/20 0.40
POLB P06746 1/20 0.40
P2RX7 Q99572 3/20 0.40
IL1B P01584 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
SCHEMBL2292223 0.90 NPC1 (0.47) NPC1RAB9ASCN9ATDP1POLB
SCHEMBL2289721 0.81 NPC1 (0.46) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL4253070 0.81 HDAC6 (0.49) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL2285724 0.79 TAS1R3 (0.52) NPC1RAB9ASMN1; SMN2
SCHEMBL4248441 0.79 HDAC6 (0.47) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL3228770 0.79 TDP1 (0.48) NPC1RAB9AMEN1KMT2ASCN9A
SCHEMBL4249693 0.77 AR (0.46) MEN1KMT2ATDP1POLB
SCHEMBL4240818 0.77 TDP1 (0.53) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL4252787 0.75 TDP1 (0.51) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL2287389 0.75 LMNA (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999136-B2 Amide compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-16 US disclosed
US-7999136-B2 Amide compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-16 US disclosed
US-7999136-B2 Amide compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-16 US disclosed
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2143709-A1 AMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-01-13 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-20100056640-A1 AMIDE COMPOUND AND USE THEREOF NAT1, AGXT, HAX1 NPC1 435/4885RAB9A 236/4885MEN1 3359/4885

“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.