SCHEMBL2997191

SCHEMBL2997191

COC(=O)c1sc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(C)c2c1C1OCCO1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.36
SLC6A3 Q01959 8/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A2 P23975 1/20 0.34
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL2990686 0.84 CCKBR (0.32) CNR1SLC6A3KDM4ENPC1MAPT
SCHEMBL2997195 0.83 TP53 (0.37) SLC6A3KDM4ENPC1MAPTCASP3
SCHEMBL2987823 0.75 SLC6A3 (0.34) CNR1SLC6A3KDM4ENPC1MAPT
SCHEMBL2982698 0.74 KDM4E (0.35) CNR1SLC6A3KDM4ENPC1MAPT
SCHEMBL2997212 0.72 CNR1 (0.37) CNR1MAPTCYP3A4CYP2C19
SCHEMBL3001005 0.72 MEN1 (0.36) CNR1KDM4EKMT2AHPGD
SCHEMBL2998567 0.70 TACR1 (0.37) CNR1KMT2A
SCHEMBL27642571 0.70 TACR1 (0.35) CNR1MAPTCYP3A4CYP2C19
SCHEMBL2990690 0.70 MAPT (0.33) KDM4ENPC1MAPTCASP3RAB9A
SCHEMBL2992096 0.70 CYP3A4 (0.41) CNR1MAPTCYP3A4CYP2C19

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 CNR1 348/4885SLC6A3 1224/4885KDM4E 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.