SCHEMBL6002771

SCHEMBL6002771

CCCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)noc2CN2CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
ENPP2 Q13822 2/20 0.39
TSHR P16473 1/20 0.39
ACKR3 P25106 1/20 0.39
MCHR1 Q99705 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SCN9A Q15858 4/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HPGDS O60760 1/20 0.37
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL6002763 0.88 PIN1 (0.40) NPC1RAB9ASMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL4722407 0.85 NPC1 (0.46) TP53NPC1RAB9ASMN1; SMN2LMNA
Isopropylamine SCHEMBL4826689 0.83 PTPN1 (0.39) TP53NPC1RAB9AHTTENPP2
SCHEMBL4762962 0.82 TP53 (0.48) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4826461 0.81 CHEK1 (0.37) TLR7SCN9A
SCHEMBL4790988 0.80 CSNK1D (0.35) TP53NPC1RAB9ALMNAHTT
SCHEMBL6004627 0.78 ACKR3 (0.40) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4720968 0.77 NPC1 (0.41) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4761790 0.74 TGFBR1 (0.49) LMNAENPP2TSHRHPGDS
SCHEMBL4722400 0.73 TLR7 (0.42) TP53NPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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 (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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 TP53 1429/4885NPC1 1832/4885RAB9A 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.