SCHEMBL6029049

SCHEMBL6029049

COC(=O)c1cccc(Sc2c(C(=O)Nc3nnn[nH]3)sc3ccc(OC)c(F)c23)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
IL2 P60568 1/20 0.33
TP53 P04637 3/20 0.33
POLB P06746 2/20 0.33
CSNK1E P49674 1/20 0.32
TYMS P04818 1/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
EDNRA P25101 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL6027097 0.94 MRGPRX4 (0.36) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6026821 0.91 MAPT (0.32) MEN1KMT2AMAPTCYP1A2ALDH1A1
SCHEMBL6026677 0.86 CSNK2A2 (0.32) MAPTRAB9ALMNA
SCHEMBL4876565 0.85 EDNRA (0.37) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6027241 0.82 GLS (0.33) MEN1KMT2APOLB
SCHEMBL6467695 0.82 CHRM4 (0.32) MEN1KMT2A
SCHEMBL6029059 0.81 FFAR1 (0.34)
SCHEMBL6812848 0.75 EDNRA (0.47) MEN1KMT2AMAPTTP53LMNA
SCHEMBL6812788 0.75 EDNRA (0.51) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6817003 0.75 EDNRA (0.41) MEN1KMT2AMAPTSMN1; SMN2TP53

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 MEN1 3391/4885KMT2A 3608/4885MAPT 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.