SCHEMBL1126869

SCHEMBL1126869

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5cccs5)cc(C)n4C)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAP3K7 O43318 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
MAPT P10636 8/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.37
FLT3 P36888 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL1990466 0.98 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAP3K7FGFR1
SCHEMBL1992455 0.91 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAP3K7FGFR1
SCHEMBL1991280 0.89 MAPT (0.42) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1991665 0.88 HCRTR1 (0.44) NPC1RAB9ASMN1; SMN2MAP3K7FGFR1
SCHEMBL1992676 0.88 MAPT (0.36) NPC1RAB9ASMN1; SMN2MAP3K7FGFR1
SCHEMBL1993167 0.87 PANK3 (0.42) NPC1RAB9ASMN1; SMN2MAP3K7FGFR1
SCHEMBL1127284 0.87 MAPT (0.42) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL30234731 0.87 MAPT (0.42) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL1997118 0.86 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2MAP3K7FGFR1
SCHEMBL1989247 0.85 MAPT (0.40) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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 14 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
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 NPC1 491/4885RAB9A 729/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NPC1 491/4885RAB9A 729/4885SMN1; SMN2 2831/4885

“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.