SCHEMBL1126455

SCHEMBL1126455

CCCNC(=O)C(=O)c1cccn1-c1ccsc1C(=O)OC

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
MAPT P10636 3/20 0.63
LMNA P02545 1/20 0.63
CYP3A4 P08684 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 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
SCHEMBL1126500 0.85 CYP3A4 (0.80) L3MBTL1MAPTLMNACYP3A4SMN1; SMN2
SCHEMBL1126417 0.78 L3MBTL1 (0.81) L3MBTL1MAPTLMNACYP3A4SMN1; SMN2
SCHEMBL1126545 0.78 L3MBTL1 (1.00) L3MBTL1MAPTLMNACYP3A4SMN1; SMN2
SCHEMBL1126436 0.78 L3MBTL1 (0.81) L3MBTL1MAPTLMNACYP3A4SMN1; SMN2
SCHEMBL1127288 0.77 L3MBTL1 (0.66) L3MBTL1MAPTLMNACYP3A4SMN1; SMN2
SCHEMBL1126369 0.76 L3MBTL1 (0.80) L3MBTL1MAPTLMNACYP3A4SMN1; SMN2
SCHEMBL8875381 0.71 MAPT (0.58) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1126453 0.66 MAPT (0.42) L3MBTL1MAPTLMNACYP3A4SMN1; SMN2
SCHEMBL9410623 0.64 NPC1 (0.56) L3MBTL1MAPTLMNASMN1; SMN2TDP1
SCHEMBL29167150 0.63 AXL (0.68) MAPTLMNACYP3A4SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 L3MBTL1 1045/4885MAPT 1696/4885LMNA 3641/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 L3MBTL1 1045/4885MAPT 1696/4885LMNA 3641/4885

“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.