SCHEMBL2988657

SCHEMBL2988657

COC(=O)c1cc2[nH]c(-c3ccc(Cl)cc3)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
CASP3 P42574 2/20 0.44
RAB9A P51151 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GCGR P47871 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
CHEK2 O96017 1/20 0.40
SLC6A3 Q01959 4/20 0.40

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
SCHEMBL2993837 0.86 PAK4 (0.43) KDM4EMAPTNPC1CASP3RAB9A
SCHEMBL3935796 0.81 RHEB (0.37) CCNCCDK8KDM4EMAPTNPC1
SCHEMBL3499141 0.77 HDAC1 (0.51) CCNCCDK8KDM4EMAPTNPC1
SCHEMBL28786646 0.74 CSNK2A2 (0.44) CCNCCDK8KDM4EMAPTNPC1
SCHEMBL15697495 0.74 F9 (0.51) CCNCCDK8KDM4EMAPTNPC1
SCHEMBL1397715 0.73 HDAC1 (0.56) CCNCCDK8KDM4EMAPTNPC1
SCHEMBL27642195 0.73 BCL2L1 (0.53) KDM4ENPC1CASP3RAB9ASENP8
SCHEMBL15615654 0.73 CSNK2A2 (0.40) CCNCCDK8KDM4EMAPTNPC1
SCHEMBL6710661 0.72 HDAC6 (0.55) KDM4EMAPTNPC1CASP3RAB9A
SCHEMBL9582884 0.72 SLC6A3 (0.53) KDM4EMAPTNPC1CASP3RAB9A

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-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT CCNC 1416/4885CDK8 1051/4885KDM4E 3250/4885

“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.