SCHEMBL7009989

SCHEMBL7009989

Cc1cc(N2CCC(NCCNC(=O)O)CC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
MAPK1 P28482 4/20 0.46
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
LDHA P00338 1/20 0.43
F10 P00742 3/20 0.42
KDM4E B2RXH2 2/20 0.41
F2 P00734 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
HRH4 Q9H3N8 3/20 0.40
ALDH1A1 P00352 1/20 0.39
AOC3 Q16853 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7107787 0.86 CARM1 (0.44) CARM1PRMT6PRMT8MAPK1ITGB3
SCHEMBL7015821 0.83 ITGB3 (0.59) ITGB3ITGA2BKDM4ECHRM2CHRM5
SCHEMBL7016795 0.82 HRH4 (0.55) CARM1PRMT6PRMT8LDHAKDM4E
SCHEMBL803614 0.82 CARM1 (0.46) CARM1PRMT6PRMT8MAPK1LDHA
SCHEMBL7008382 0.81 CARM1 (0.47) CARM1PRMT6PRMT8MAPK1LDHA
Hydrochloric Acid SCHEMBL784871 0.81 CARM1 (0.46) CARM1PRMT6PRMT8MAPK1LDHA
SCHEMBL7016144 0.80 VCP (0.47) CARM1PRMT6PRMT8MAPK1ITGB3
SCHEMBL7111380 0.78 F10 (0.40) CARM1PRMT6PRMT8MAPK1LDHA
SCHEMBL4891157 0.78 KDM4E (0.56) MAPK1LDHAF10KDM4EF2
SCHEMBL803613 0.77 HRH4 (0.56) CARM1PRMT6PRMT8MAPK1LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 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 (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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH CARM1 241/4885PRMT6 88/4885PRMT8 452/4885

“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.