SCHEMBL6357316

SCHEMBL6357316

CC(O)CCCCn1c(=O)c2c(nc(CN)n2C)n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TNF P01375 2/20 0.41
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
NFKB1 P19838 1/20 0.39
ACHE P22303 1/20 0.39
PDE4A P27815 1/20 0.39
ADORA2B P29275 1/20 0.39
PMP22 Q01453 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPK1 P28482 2/20 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
SCHEMBL6357312 1.00 LMNA (0.43) LMNANPSR1TNFRAB9ARXFP1
SCHEMBL6349797 0.88 RAB9A (0.41) LMNANPSR1TNFRAB9ARXFP1
SCHEMBL6349795 0.88 RAB9A (0.41) LMNANPSR1TNFRAB9ARXFP1
SCHEMBL8230594 0.84 LMNA (0.41) LMNANPSR1TNFRAB9ARXFP1
SCHEMBL19975702 0.84 TNF (0.46) LMNANPSR1TNFRAB9ARXFP1
SCHEMBL19975701 0.84 TNF (0.46) LMNANPSR1TNFRAB9ARXFP1
SCHEMBL8126411 0.84 TNF (0.46) LMNANPSR1TNFRAB9ARXFP1
SCHEMBL6346907 0.83 RAB9A (0.57) LMNANPSR1RAB9ATSHRUSP2
SCHEMBL6346910 0.83 RAB9A (0.57) LMNANPSR1RAB9ATSHRUSP2
SCHEMBL6346563 0.82 TNF (0.59) LMNANPSR1TNFRAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171442-B1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS INC (US) 2005-12-07 EP disclosed
US-6878715-B1 Therapeutic compounds for inhibiting interleukin-12 signals and method for using same CELL THERAPEUTICS, INC. (US) 2005-04-12 US disclosed
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same CELL THERAPEUTICS, INC. (US) 2005-03-03 US disclosed
EP-1171442-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS, INC. (US) 2002-01-16 EP disclosed
WO-2000061583-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 2000-10-19 WO 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-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same IL2, CCR10, CCR1 LMNA 767/4885NPSR1 1210/4885TNF 1369/4885

“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.