SCHEMBL2987706

SCHEMBL2987706

COC(=O)c1cc2c(C3=CCCCC3)c(-c3ccccc3)n(Cc3ccccc3)c2s1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.43
MAPK8 P45983 6/20 0.41
AR P10275 1/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
P2RX3 P56373 5/20 0.40
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2987708 0.85 MAPK8 (0.51) KDM4ESMN1; SMN2KMT2AMAPK8AR
SCHEMBL2996795 0.77 KDM4E (0.45) KDM4ESMN1; SMN2KMT2AMAPK8AR
SCHEMBL2996558 0.76 ALDH1A1 (0.45) KDM4ESMN1; SMN2KMT2AMAPK8AR
SCHEMBL8506149 0.72 KDM4E (0.54) KDM4ESMN1; SMN2KMT2AMAPK8MAPK1
SCHEMBL3000703 0.69 MAT2A (0.40) KDM4EKMT2AALDH1A1HPGDLMNA
SCHEMBL2997767 0.69 KDM4E (0.53) KDM4ESMN1; SMN2KMT2AMAPK8AR
SCHEMBL8504351 0.68 PLA2G2A (0.52) KDM4ESMN1; SMN2KMT2AMAPK8MAPK1
SCHEMBL6235401 0.67 KDM4E (0.54) KDM4ESMN1; SMN2KMT2AMAPK8MAPK1
SCHEMBL2996612 0.65 OPRK1 (0.44) KMT2ANPSR1
SCHEMBL2998829 0.65 KMT2A (0.40) KDM4ESMN1; SMN2KMT2AMAPK8AR

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 KDM4E 3250/4885SMN1; SMN2 3684/4885KMT2A 3970/4885

“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.