SCHEMBL2157682

SCHEMBL2157682

COC(=O)c1cc2[nH]cc(C3CCCCC3F)c2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRA1B P35368 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
CSNK2A2 P19784 1/20 0.32
KDR P35968 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PDE1C Q14123 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2156623 0.87 HPGD (0.38) KDM4EHPGDNPC1MAPK1RAB9A
SCHEMBL2863602 0.83 HPGD (0.37) KDM4EHPGDNPC1MAPK1RAB9A
SCHEMBL393072 0.74 NPC1 (0.49) HPGDNPC1MAPK1RAB9AALDH1A1
SCHEMBL393070 0.74 NPC1 (0.49) HPGDNPC1MAPK1RAB9AALDH1A1
SCHEMBL393071 0.74 NPC1 (0.49) HPGDNPC1MAPK1RAB9AALDH1A1
SCHEMBL2156470 0.72 GAA (0.36) KDM4EHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL14269799 0.71 HTR1A (0.32)
SCHEMBL30990255 0.70 HPGD (0.40) KDM4EHPGDNPC1MAPK1RAB9A
SCHEMBL2157243 0.70 GPR35 (0.38) KDM4ERAB9AMEN1KMT2AALDH1A1
SCHEMBL2156701 0.66 ALDH1A1 (0.32) KDM4EHPGDSMN1; SMN2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US disclosed
US-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 US disclosed
EP-1881989-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-01-30 EP disclosed
WO-2006119975-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-11-16 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-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L KDM4E 3275/4885HPGD 1422/4885NPC1 2347/4885

“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.