SCHEMBL1126417

SCHEMBL1126417

COC(=O)c1sccc1-n1cccc1C(=O)C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.81
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.60
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
CYP3A4 P08684 2/20 0.56
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 5/20 0.52
NPC1 O15118 5/20 0.52
MEN1 O00255 4/20 0.52
RAB9A P51151 4/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
PKM P14618 3/20 0.48
ATM Q13315 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL1126545 0.89 L3MBTL1 (1.00) L3MBTL1MAPTLMNATDP1SMN1; SMN2
SCHEMBL1126436 0.89 L3MBTL1 (0.81) L3MBTL1MAPTLMNATDP1SMN1; SMN2
SCHEMBL1126369 0.87 L3MBTL1 (0.80) L3MBTL1MAPTLMNATDP1SMN1; SMN2
SCHEMBL1126500 0.79 CYP3A4 (0.80) L3MBTL1MAPTLMNATDP1SMN1; SMN2
SCHEMBL1126455 0.78 L3MBTL1 (0.64) L3MBTL1MAPTLMNATDP1SMN1; SMN2
SCHEMBL1127288 0.78 L3MBTL1 (0.66) L3MBTL1MAPTLMNATDP1SMN1; SMN2
SCHEMBL1992068 0.68 MEN1 (1.00) L3MBTL1MAPTLMNASMN1; SMN2CYP3A4
SCHEMBL1127160 0.67 KMT2A (0.42) L3MBTL1MAPTLMNASMN1; SMN2CYP3A4
SCHEMBL8875381 0.67 MAPT (0.58) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1126853 0.66 RAB9A (1.00) L3MBTL1MAPTLMNASMN1; 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 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 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.