SCHEMBL1126499

SCHEMBL1126499

C=CCNc1c2c(=O)c(=O)c2cn1-c1ccsc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 4/20 0.35
PDE7A Q13946 1/20 0.34
MEN1 O00255 3/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.33
TNFRSF1A P19438 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
CDC25B P30305 1/20 0.33
NPC1 O15118 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
SCHEMBL1126453 0.85 MAPT (0.42) SMN1; SMN2CYP3A4MAPTLMNAALDH1A1
SCHEMBL31744531 0.70 SMN1; SMN2 (0.55) SMN1; SMN2CYP3A4MAPTLMNAALDH1A1
SCHEMBL1126500 0.67 CYP3A4 (0.80) SMN1; SMN2CYP3A4MAPTLMNAALDH1A1
SCHEMBL23485625 0.62 CYP3A4 (0.41) SMN1; SMN2CYP3A4MAPTKMT2ACYP1A2
SCHEMBL29167150 0.61 AXL (0.68) SMN1; SMN2CYP3A4MAPTLMNAALDH1A1
SCHEMBL8875381 0.61 MAPT (0.58) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL8055595 0.60 KMT2A (0.50) SMN1; SMN2CYP3A4MAPTLMNAALDH1A1
SCHEMBL13735702 0.59 LMNA (0.50) SMN1; SMN2CYP3A4MAPTLMNAALDH1A1
SCHEMBL17181737 0.59 HPGD (0.52) SMN1; SMN2MAPTLMNAALDH1A1L3MBTL1
SCHEMBL27256323 0.59 KMT2A (0.46) SMN1; SMN2CYP3A4MAPTLMNAALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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 (2 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 SMN1; SMN2 2831/4885CYP3A4 321/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 SMN1; SMN2 2831/4885CYP3A4 321/4885MAPT 1696/4885

“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.