SCHEMBL2989614

SCHEMBL2989614

COC(=O)C(C#N)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.46
SRC P12931 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ANPEP P15144 3/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.39
LMNA P02545 1/20 0.39
ESRRB O95718 1/20 0.38
HTT P42858 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL14190749 0.88 MAPK1 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL12997993 0.83 MEN1 (0.51) KMT2ATSHRGAASMN1; SMN2ALDH1A1
SCHEMBL23091851 0.83 TDP1 (0.50) KMT2ATSHRGAASMN1; SMN2ALDH1A1
SCHEMBL10741256 0.80 TDP1 (0.47) TSHRGAASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL28760042 0.78 CTSD (0.47) TSHRGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8845741 0.76 KMT2A (0.55) KMT2ATSHRSRCPTGS1PTGS2
SCHEMBL2097359 0.76 KMT2A (0.55) KMT2ATSHRSRCPTGS1PTGS2
SCHEMBL10848456 0.76 ANPEP (0.48) KMT2ATSHRANPEPSMN1; SMN2ALDH1A1
SCHEMBL741499 0.75 TSHR (0.44) KMT2ATSHRGAASMN1; SMN2ALDH1A1
SCHEMBL9819309 0.75 GAA (0.58) KMT2ATSHRGAASMN1; SMN2ALDH1A1

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 6 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
EP-1664059-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-07 EP disclosed
WO-2005023819-A9 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2006-03-23 WO disclosed
WO-2005023819-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-03-17 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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT KMT2A 3970/4885TSHR 209/4885SRC 1897/4885

“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.