SCHEMBL2996554

SCHEMBL2996554

O=C(O)c1cc2c(C3CCCCC3)c(-c3ccccc3)n(Cc3ccccc3)c2s1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ACKR3 P25106 1/20 0.35
HTR2A P28223 1/20 0.35
FABP4 P15090 3/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL2996795 0.91 KDM4E (0.45) ALDH1A1KDM4EKMT2ACNR2SMN1; SMN2
SCHEMBL2982896 0.84 KDM4E (0.39) ALDH1A1KDM4ELMNAFABP4SMN1; SMN2
SCHEMBL2998608 0.83 CNR1 (0.37) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL2996558 0.79 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAKMT2AFABP4
SCHEMBL5440965 0.77 FABP4 (0.46) ALDH1A1KDM4ECNR1CNR2FABP4
SCHEMBL5432018 0.77 FABP4 (0.54) LMNACNR1CNR2FABP4
SCHEMBL5229092 0.77 ADORA2B (0.41) LMNAMEN1KMT2AHTT
SCHEMBL13211511 0.77 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL2992967 0.76 CHRNB2 (0.35) ALDH1A1KDM4EHTR2A
SCHEMBL5237385 0.75 KDM4E (0.40) ALDH1A1KDM4ELMNACNR2HTT

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 ALDH1A1 397/4885KDM4E 3250/4885LMNA 3405/4885

“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.