SCHEMBL1992685

SCHEMBL1992685

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccco5)cc(C)n4C)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
BLM P54132 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
APP P05067 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
SNCA P37840 1/20 0.43
MCL1 Q07820 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL1127284 0.88 MAPT (0.42) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL30234731 0.88 MAPT (0.42) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL1989247 0.85 MAPT (0.40) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL1126869 0.84 NPC1 (0.43) MAPTKMT2ALMNAALDH1A1POLB
SCHEMBL1993791 0.83 TRPV1 (0.38) MAPTLMNAALDH1A1L3MBTL1TSHR
SCHEMBL1990466 0.82 NPC1 (0.41) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL1991189 0.80 MAPT (0.40) MAPTALDH1A1MAPK1HPGDKDM4E
SCHEMBL1126434 0.79 MAPT (0.39) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL1127435 0.79 MAPT (0.40) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL1126732 0.78 MAPT (0.38) MAPTKMT2AMEN1LMNAALDH1A1

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
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US claimed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
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
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-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 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

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 MAPT 1696/4885KMT2A 3996/4885MEN1 77/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885KMT2A 3996/4885MEN1 77/4885

“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.