SCHEMBL2998829

SCHEMBL2998829

COCn1c(-c2ccccc2)c(-c2ccccc2)c2sc(C(=O)OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
AR P10275 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK8 P45983 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37

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
SCHEMBL2998225 0.94 DRD2 (0.39) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2992063 0.93 KDM4E (0.39) KMT2AKDM4EALDH1A1MAPTLMNA
SCHEMBL2994395 0.88 KDM4E (0.47) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2156666 0.87 KMT2A (0.39) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2994263 0.86 ALOX5 (0.36) KDM4EMAPTARHSD17B10MAPK8
SCHEMBL2998711 0.83 ALDH1A1 (0.42) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2996612 0.83 OPRK1 (0.44) KMT2AMEN1GAANPSR1
SCHEMBL2999727 0.82 KDM4E (0.42) KMT2AKDM4ESMN1; SMN2MAPTAR
SCHEMBL2998826 0.82 KDM4E (0.36) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2988628 0.78 KDM4E (0.38) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT

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 KMT2A 3970/4885KDM4E 3250/4885SMN1; SMN2 3684/4885

“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.