SCHEMBL4640357

SCHEMBL4640357

CNC(=O)c1cc(F)cc(-c2cc3c(c(C(=O)OC)c2)OCCCC3)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.40
PARP1 P09874 1/20 0.38
MAP4K4 O95819 1/20 0.36
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
BACE1 P56817 1/20 0.34
BRD4 O60885 5/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33

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
SCHEMBL4641356 0.89 PARP1 (0.40) PLK1PARP1MAP4K4BACE1BRD4
SCHEMBL14161476 0.89 PARP1 (0.40) PLK1PARP1MAP4K4BACE1BRD4
SCHEMBL14098995 0.88 PARP1 (0.53) PLK1PARP1MAP4K4BACE1BRD4
SCHEMBL4737639 0.81 PARP1 (0.48) PLK1PARP1MAP4K4HSD17B1HSD17B2
SCHEMBL3935043 0.75 MAPK1 (0.42) BRD4NPC1RAB9ALMNA
SCHEMBL4962098 0.74 ITGB2 (0.49)
SCHEMBL3944054 0.73 MAPT (0.41) PARP1NPC1RAB9ATDP1
SCHEMBL14091801 0.72 HTR1A (0.34)
SCHEMBL4641341 0.72 ITGB2 (0.36) LMNA
SCHEMBL14091799 0.72 HTR1A (0.36)

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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 PLK1 1294/4885PARP1 1061/4885MAP4K4 4675/4885

“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.