SCHEMBL1126804

SCHEMBL1126804

CN1CCn2cc(-c3ccccc3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.38
MAPK1 P28482 1/20 0.37
CHKA P35790 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
COMT P21964 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL6370173 0.79 COMT (0.44) HDAC6SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1126868 0.73 BRD4 (0.42) HDAC6SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1126871 0.73 WDR5 (0.47) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL7999938 0.72 OPRD1 (0.47) HDAC6NPC1RAB9AKDM4ECOMT
SCHEMBL24774466 0.72 MEN1 (0.39) MAPTKDM4ECOMT
SCHEMBL942428 0.71 KDM4E (0.45) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL1988551 0.70 KDM4E (0.44) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL1126858 0.69 NPC1 (0.40) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL16389216 0.67 COMT (0.37) CHKACOMTHRH4
SCHEMBL8030062 0.66 MAOA (0.43) KDM4EMAOAMAOB

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 HDAC6 780/4885SMN1; SMN2 2831/4885NPC1 491/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HDAC6 780/4885SMN1; SMN2 2831/4885NPC1 491/4885

“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.