SCHEMBL1126871

SCHEMBL1126871

c1ccc(-c2cc3n(c2)CCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.40
ALOX5 P09917 5/20 0.38
PTGS2 P35354 4/20 0.38
PTGS1 P23219 2/20 0.38
BRD4 O60885 1/20 0.37
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 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
SCHEMBL942428 0.94 KDM4E (0.45) WDR5KDM4EALDH1A1NPC1RAB9A
SCHEMBL1988551 0.93 KDM4E (0.44) WDR5KDM4EALDH1A1NPC1RAB9A
SCHEMBL1126804 0.73 HDAC6 (0.40) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL14249052 0.73 APP (0.41) WDR5ALDH1A1MAPT
SCHEMBL1126858 0.73 NPC1 (0.40) KDM4ENPC1RAB9ALMNAHTT
SCHEMBL14862135 0.70 CYP11B2 (0.36) WDR5KDM4EALDH1A1NPC1RAB9A
SCHEMBL1126763 0.70 KDM4E (0.51) WDR5KDM4EALDH1A1NPC1RAB9A
SCHEMBL1126634 0.67 NPC1 (0.59) WDR5KDM4EALDH1A1NPC1RAB9A
Biphenyl SCHEMBL28611575 0.62 ALDH1A1 (0.75) ALDH1A1NPC1RAB9A
Biphenyl SCHEMBL396019 0.62 ALDH1A1 (0.75) ALDH1A1NPC1RAB9A

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 9 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-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 WDR5 1590/4885KDM4E 1706/4885ALDH1A1 219/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 WDR5 1590/4885KDM4E 1706/4885ALDH1A1 219/4885

“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.