SCHEMBL3499141

SCHEMBL3499141

COC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.43
RPA1 P27694 1/20 0.43
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL15697495 0.89 F9 (0.51) CCNCCDK8MAPTKDM4ENPC1
SCHEMBL1397715 0.88 HDAC1 (0.56) HDAC1CCNCCDK8MAPTKDM4E
SCHEMBL17149254 0.87 HDAC1 (0.54) HDAC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL12597703 0.87 HDAC1 (0.52) HDAC1MAPTKDM4EALDH1A1HPGD
SCHEMBL3498337 0.85 RPA1 (0.55) HDAC1CCNCCDK8KDM4ENPC1
SCHEMBL3500539 0.85 MAPT (0.50) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL15697488 0.81 HDAC1 (0.47) HDAC1HDAC6OPRD1PTPN2
SCHEMBL4614384 0.79 MEN1 (0.55) HDAC1CCNCCDK8MAPTALDH1A1
SCHEMBL17149256 0.79 PIK3CA (0.47) HDAC1CCNCCDK8MAPTKDM4E
SCHEMBL1886145 0.77 HDAC1 (0.80) HDAC1MAPTKDM4ENPC1RAB9A

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-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 HDAC1 687/4885CCNC 2946/4885CDK8 1969/4885

“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.