SCHEMBL6027097

SCHEMBL6027097

COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(Sc3cccc(C(=O)O)c3)c2c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.36
EDNRA P25101 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ENPP2 Q13822 2/20 0.32
STING1 Q86WV6 1/20 0.32
LMNA P02545 2/20 0.32
BTK Q06187 1/20 0.32
RAB9A P51151 3/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAOB P27338 1/20 0.31
ADORA2A P29274 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6029049 0.94 MEN1 (0.33) EDNRAMAPTTP53POLBMEN1
SCHEMBL6026677 0.91 CSNK2A2 (0.32) MAPTLMNABTKRAB9AMAPK1
SCHEMBL6026821 0.86 MAPT (0.32) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6027241 0.84 GLS (0.33) POLBMEN1KMT2AMAOBKDM4E
SCHEMBL6029059 0.83 FFAR1 (0.34)
SCHEMBL6467695 0.82 CHRM4 (0.32) MEN1KMT2AMAOB
SCHEMBL4876565 0.78 EDNRA (0.37) EDNRAMAPTTP53POLBMEN1
SCHEMBL6817003 0.77 EDNRA (0.41) EDNRAMAPTTP53POLBMEN1
SCHEMBL6812848 0.75 EDNRA (0.47) EDNRAMAPTTP53MEN1KMT2A
SCHEMBL6811772 0.75 EDNRA (0.48) EDNRAMAPTTP53POLBMEN1

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
EP-1664037-A1 HALO SUBSTITUTED BENZO [B] THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-06-07 EP disclosed
US-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents CONNOLLY MICHAEL K (US) 2005-05-05 US disclosed
WO-2005023800-A1 HALO SUBSTITUTED BENZO`B! THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-17 WO 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-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents HCLS1, BRI3BP, BRPF1 MRGPRX4 1187/4885EDNRA 1852/4885MAPT 4277/4885

“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.