SCHEMBL2990746

SCHEMBL2990746

COCn1c(-c2ccccc2)c(-c2ccccc2)c2sc(C(=O)O)c(C=O)c21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 1/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 2/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
PTPN2 P17706 2/20 0.31
PTPN1 P18031 2/20 0.31
PTPRC P08575 1/20 0.31
MAOA P21397 1/20 0.31
AR P10275 1/20 0.31
GRIA4 P48058 1/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3001810 0.77 ACHE (0.38)
SCHEMBL2982702 0.76 KDM4E (0.39) ALDH1A1RAB9AKDM4EPLA2G1BATG4B
SCHEMBL5228192 0.74
SCHEMBL2992063 0.73 KDM4E (0.39) ALDH1A1KDM4EHSD17B10GFERLMNA
SCHEMBL2156683 0.70 PLA2G1B (0.38) ALDH1A1KDM4EHSD17B10LMNAPLA2G1B
SCHEMBL2998829 0.69 KMT2A (0.40) ALDH1A1KDM4EHSD17B10LMNAPLA2G1B
SCHEMBL13211567 0.66 GPR35 (0.32) ALDH1A1RAB9AGFERLMNAPLA2G1B
SCHEMBL2987823 0.65 SLC6A3 (0.34) RAB9AKDM4EMAPT
SCHEMBL2998225 0.65 DRD2 (0.39) ALDH1A1RAB9AKDM4ELMNAAR
SCHEMBL1126538 0.59 GRIA2 (0.44) ALDH1A1KDM4EGFERARGRIA4

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 ALDH1A1 397/4885RAB9A 1953/4885KDM4E 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.