SCHEMBL16624325

SCHEMBL16624325

CCc1ccc(Cc2c(C)nc(N)nc2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
TLR7 Q9NYK1 8/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHFR P00374 1/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL16624319 0.86 DHFR (0.41) NPSR1TLR7DHFRTLR8
SCHEMBL10310939 0.82 TLR7 (0.44) NPSR1TLR7
SCHEMBL16624323 0.79 TLR7 (0.39) NPSR1TLR7DHFRTLR8
SCHEMBL16624324 0.78 SMN1; SMN2 (0.46) NPSR1NPC1RAB9ASMN1; SMN2DHFR
SCHEMBL16624362 0.76 HSP90AB1 (0.41) SMN1; SMN2DHFR
SCHEMBL18052639 0.74 TLR7 (0.37) NPSR1TLR7NPC1RAB9ASMN1; SMN2
SCHEMBL16624329 0.74 NPSR1 (0.40) NPSR1TLR7DHFRTLR8
SCHEMBL22523838 0.72 TLR7 (0.60) TLR7TLR8
SCHEMBL8771412 0.71 ALDH1A1 (0.43) NPC1RAB9ADHFR
SCHEMBL4279450 0.71 TRPA1 (0.44) NPC1RAB9ASMN1; SMN2

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-20160251319-A1 CARBOXYLIC ACID COMPOUNDS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-09-01 US disclosed
US-9376398-B2 Carboxylic acid compounds SUMITOMO DAINIPPON PHARMA CO., LTD (JP) 2016-06-28 US disclosed
US-20150099770-A1 CARBOXYLIC ACID COMPOUNDS Sumitomo Pharma Co., Ltd. (JP) 2015-04-09 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-20150099770-A1 CARBOXYLIC ACID COMPOUNDS C9, SUCNR1, C3AR1 NPSR1 1487/4885TLR7 87/4885NPC1 924/4885
US-20160251319-A1 CARBOXYLIC ACID COMPOUNDS C9, SUCNR1, C3AR1 NPSR1 1487/4885TLR7 87/4885NPC1 924/4885

“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.