SCHEMBL2997410

SCHEMBL2997410

COC(=O)c1cc([N+](=O)[O-])c(/C=C/c2ccc(Cl)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.44
USP7 Q93009 2/20 0.43
PADI4 Q9UM07 1/20 0.43
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
USP10 Q14694 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
PTGS2 P35354 1/20 0.40
HTT P42858 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2997412 1.00 BACE1 (0.44) BACE1USP7PADI4MAPTPOLB
SCHEMBL2999531 0.88 RAB9A (0.46) BACE1MAPTPOLBMAPK1SMN1; SMN2
SCHEMBL2999526 0.88 RAB9A (0.46) BACE1MAPTPOLBMAPK1SMN1; SMN2
SCHEMBL3931853 0.82 USP10 (0.38) BACE1MAPTPOLBMAPK1USP10
SCHEMBL3931848 0.82 USP10 (0.38) BACE1MAPTPOLBMAPK1USP10
SCHEMBL424946 0.78 USP10 (0.47) USP7PADI4MAPTPOLBMAPK1
SCHEMBL1242472 0.78 USP10 (0.41) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL1242468 0.78 USP10 (0.41) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL26983450 0.74 USP10 (0.51) BACE1MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL14269801 0.73 CDK2 (0.36) BACE1MAPTPOLBALDH1A1USP10

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 BACE1 2923/4885USP7 4500/4885PADI4 1807/4885

“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.