SCHEMBL1989972

SCHEMBL1989972

Cc1cc(C)nc(CNCCNc2ccc(NC(=O)C(=O)c3c(-c4cccs4)cc(C)n3C)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
GAA P10253 2/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
KLK7 P49862 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 3/20 0.33
MAPT P10636 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 2/20 0.33
KDR P35968 1/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 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
SCHEMBL1992483 0.88 KDM4E (0.41) KDM4EGAAKMT2AMEN1KLK7
SCHEMBL1987574 0.84 GAA (0.35) KDM4EGAAKMT2AMEN1KLK7
SCHEMBL1989974 0.83 GAA (0.35) KDM4EGAAKMT2AMEN1KLK7
SCHEMBL1989977 0.79 CFTR (0.35) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL1993708 0.79 ALDH1A1 (0.36) KDM4EGAAKMT2AMEN1KLK7
SCHEMBL1989308 0.79 MAPT (0.37) KDM4EGAAKMT2AMEN1KLK7
SCHEMBL1990146 0.78 GAA (0.35) KDM4EGAAKMT2AMEN1KLK7
SCHEMBL1126869 0.78 NPC1 (0.43) KDM4EGAAKMT2AALDH1A1NPSR1
SCHEMBL1127210 0.78 ADRB1 (0.41) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL1988540 0.77 ADRB1 (0.41) KDM4EKMT2AMEN1TSHRMAPT

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 KDM4E 1706/4885GAA 554/4885KMT2A 3996/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KDM4E 1706/4885GAA 554/4885KMT2A 3996/4885

“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.