SCHEMBL1989640

SCHEMBL1989640

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(NCCOc2cc(C)cc(C)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CFTR P13569 1/20 0.38
MALT1 Q9UDY8 3/20 0.36
DGAT1 O75907 1/20 0.34
USP2 O75604 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
LTB4R Q15722 1/20 0.33
HSP90AA1 P07900 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
GALR3 O60755 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL1990047 0.91 HCRTR1 (0.38) HCRTR1HCRTR2MALT1RAB9AKDM4E
SCHEMBL1987586 0.90 HCRTR2 (0.40) HCRTR1HCRTR2CFTRMALT1DGAT1
SCHEMBL1126711 0.89 CFTR (0.37) CFTRMALT1DGAT1USP2HPGD
SCHEMBL1989977 0.86 CFTR (0.35) CFTRMALT1USP2RAB9AKDM4E
SCHEMBL1126879 0.85 DGAT1 (0.37) CFTRMALT1DGAT1MAPTSMN1; SMN2
SCHEMBL1646302 0.83 HCRTR1 (0.38) HCRTR1HCRTR2CFTRMALT1HPGD
SCHEMBL1646624 0.82 SMN1; SMN2 (0.41) HCRTR1HCRTR2CFTRMALT1HPGD
SCHEMBL1646589 0.82 LMNA (0.42) HCRTR1HCRTR2CFTRMALT1HPGD
SCHEMBL1992518 0.81 DGAT1 (0.38) CFTRMALT1DGAT1USP2KDM4E
SCHEMBL1991373 0.81 HCRTR1 (0.39) HCRTR1HCRTR2RAB9AKDM4EMAPT

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 6 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-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

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 3375/4885CFTR 2133/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HCRTR1 1092/4885HCRTR2 3375/4885CFTR 2133/4885

“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.