SCHEMBL1409587

SCHEMBL1409587

CNCCc1cccc(OCC2CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
CHRM3 P20309 1/20 0.60
ACHE P22303 2/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
TAAR1 Q96RJ0 4/20 0.47
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
ATM Q13315 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43

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
SCHEMBL25819677 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM3ACHECARM1
SCHEMBL25819673 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3CARM1PRMT6
SCHEMBL2204692 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3CARM1PRMT6
SCHEMBL19291800 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3CARM1PRMT6
SCHEMBL22957641 0.85 KDM5A (0.51) CARM1PRMT6NOS1KDM5AKDM4C
SCHEMBL25819791 0.84 CHRM2 (0.46) CHRM2CHRM1CHRM3CARM1PRMT6
SCHEMBL8274392 0.83 CNR1 (0.45) KDM5AKDM4C
SCHEMBL25822083 0.82 HTR1B (0.54) CARM1PRMT6NOS1NOS2ACACB
SCHEMBL4568828 0.81 PPARA (0.51)
SCHEMBL28751588 0.80 TLR4 (0.45) KDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530490-B2 Uracil compound or salt thereof having human deoxyuridine triphosphatase inhibitory activity TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-09-10 US disclosed
US-8530490-B2 Uracil compound or salt thereof having human deoxyuridine triphosphatase inhibitory activity TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-09-10 US disclosed
EP-2295414-B1 URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP disclosed
EP-2295414-B1 URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP disclosed
CN-102056905-A Novel uracil compound having human deoxyuridine triphosphatase inhibitory activity or salt thereof TAIHO PHARMACEUTICAL CO LTD 2011-05-11 CN disclosed
US-20110082163-A1 NOVEL URACIL COMPOUND OR SALT THEREOF HAVING HUMAN DEOXYURIDINE TRIPHOSPHATASE INHIBITORY ACTIVITY TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-07 US disclosed
US-20110082163-A1 NOVEL URACIL COMPOUND OR SALT THEREOF HAVING HUMAN DEOXYURIDINE TRIPHOSPHATASE INHIBITORY ACTIVITY TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-07 US disclosed
EP-2295414-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2011-03-16 EP disclosed
EP-2295414-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2011-03-16 EP disclosed
WO-2009147843-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2009-12-10 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-20110082163-A1 NOVEL URACIL COMPOUND OR SALT THEREOF HAVING HUMAN DEOXYURIDINE TRIPHOSPHATASE INHIBITORY ACTIVITY SNRPB2, SNRPA1, DUT CHRM2 4716/4885CHRM1 4727/4885CHRM3 4647/4885

“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.