SCHEMBL948618

SCHEMBL948618

CC(C)(C)OC(=S)n1c(CCC(=O)N2CCC(c3cnc4n3CCCC4)CC2)nc2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.54
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
CNR1 P21554 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
NPY1R P25929 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
TBXA2R P21731 1/20 0.33
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL948617 0.83 F10 (0.52) F10CNR1MEN1KMT2AFNTA
SCHEMBL950083 0.76 F10 (0.61) F10CNR1FNTAFNTB
SCHEMBL948861 0.75 F10 (0.60) F10CNR1TP53POLB
SCHEMBL948718 0.73 HPGD (0.48) F10MEN1KMT2ATP53MAPT
Hydrochloric Acid SCHEMBL949407 0.71 F10 (0.72) F10
SCHEMBL948963 0.70 F10 (0.71) F10
Hydrochloric Acid SCHEMBL948365 0.69 F10 (0.98) F10
Hydrochloric Acid SCHEMBL947439 0.69 F10 (0.97) F10
Hydrochloric Acid SCHEMBL948706 0.69 F10 (0.68) F10
SCHEMBL7963436 0.68 F10 (0.51) F10MEN1KMT2AALDH1A1HPGD

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 F10 545/4885P2RX3 1651/4885P2RX2 1536/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 F10 490/4885P2RX3 1888/4885P2RX2 1906/4885

“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.