SCHEMBL1991373

SCHEMBL1991373

Cc1cc(C)nc(OCCOc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc(C)n3C)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
KCNA5 P22460 2/20 0.39
MAPT P10636 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PORCN Q9H237 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RIPK2 O43353 1/20 0.35
ACVR1 Q04771 1/20 0.35

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
SCHEMBL1987586 0.90 HCRTR2 (0.40) HCRTR1HCRTR2MAPTSMN1; SMN2KMT2A
SCHEMBL1990047 0.90 HCRTR1 (0.38) HCRTR1HCRTR2KCNA5MAPTRXFP1
SCHEMBL1646859 0.87 SMN1; SMN2 (0.38) HCRTR1HCRTR2KCNA5MAPTRXFP1
SCHEMBL1989308 0.87 MAPT (0.37) HCRTR1HCRTR2KCNA5MAPTRXFP1
SCHEMBL1646398 0.86 SMN1; SMN2 (0.51) HCRTR1HCRTR2MAPTSMN1; SMN2TDP1
SCHEMBL1988542 0.85 RIPK2 (0.38) KCNA5MAPTRXFP1SMN1; SMN2KMT2A
SCHEMBL1988540 0.85 ADRB1 (0.41) KCNA5MAPTRXFP1KMT2AKDM4E
SCHEMBL2231282 0.85 SMN1; SMN2 (0.41) HCRTR1HCRTR2KCNA5MAPTRXFP1
SCHEMBL2231172 0.85 LMNA (0.43) HCRTR1HCRTR2MAPTSMN1; SMN2TDP1
SCHEMBL1126845 0.84 HCRTR1 (0.41) HCRTR1HCRTR2KCNA5MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HCRTR1 1092/4885HCRTR2 3375/4885KCNA5 1822/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HCRTR1 1092/4885HCRTR2 3375/4885KCNA5 1822/4885

“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.