SCHEMBL2996692

SCHEMBL2996692

Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2sc(C(=O)O)c(CN3Cc4ccccc4C3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.41
MMP2 P08253 1/20 0.39
BACE1 P56817 1/20 0.36
ALOX5 P09917 3/20 0.35
PTGS1 P23219 3/20 0.35
PTGS2 P35354 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
TACR1 P25103 2/20 0.35
DRD3 P35462 3/20 0.34
HTR1A P08908 3/20 0.34
HTR2B P41595 3/20 0.34
DRD2 P14416 2/20 0.34
HTR7 P34969 2/20 0.34
HRH1 P35367 2/20 0.34
KCNH2 Q12809 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
HDAC1 Q13547 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL2998571 0.90 BCL2L1 (0.49) BCL2L1TACR1HDAC1TP53MDM2
SCHEMBL3001007 0.89 BCL2L1 (0.41) BCL2L1ALOX5PTGS1PTGS2TACR1
SCHEMBL2997421 0.84 BCL2L1 (0.40) BCL2L1TACR1
SCHEMBL2996688 0.84 MMP2 (0.35) BCL2L1MMP2BACE1TMEM97SIGMAR1
SCHEMBL2997214 0.82 BCL2L1 (0.37) BCL2L1ALOX5PTGS1PTGS2KCNH2
SCHEMBL2997790 0.80 EGFR (0.43) PTGS2TP53MDM2POLB
SCHEMBL2999634 0.76 AKT1 (0.36) BCL2L1TACR1TP53MDM2POLB
SCHEMBL2990716 0.74 EGFR (0.43) BCL2L1PTGS2TACR1TP53MDM2
SCHEMBL2998567 0.72 TACR1 (0.37) BCL2L1TACR1TP53
SCHEMBL3001005 0.72 MEN1 (0.36) TACR1HTR2APOLB

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 5 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 claimed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US claimed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed
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

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 BCL2L1 3784/4885MMP2 4781/4885BACE1 2923/4885

“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.