SCHEMBL1126929

SCHEMBL1126929

CCCn1cc(-c2ccccc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.46
BRD4 O60885 1/20 0.43
PDE10A Q9Y233 3/20 0.40
TSHR P16473 1/20 0.40
CNR2 P34972 1/20 0.38
TLR8 Q9NR97 2/20 0.37
ALDH1A1 P00352 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE5A O76074 1/20 0.36
HSD11B1 P28845 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
NR1H3 Q13133 1/20 0.35
DRD2 P14416 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
SCHEMBL1127094 0.89 TYR (0.49) TYRBRD4TSHRCNR2TLR8
SCHEMBL1126585 0.85 BRD4 (0.42) BRD4PDE10ATSHRALDH1A1KDM4E
SCHEMBL1127040 0.84 ALDH1A1 (0.38) TYRBRD4TSHRTLR8ALDH1A1
SCHEMBL1127073 0.84 BRD4 (0.42) BRD4TLR8ALDH1A1KDM4EGLA
SCHEMBL1126694 0.84 BRD4 (0.42) BRD4ALDH1A1KDM4EGLAGAA
SCHEMBL1126844 0.82 KDM4E (0.46) BRD4TSHRALDH1A1KDM4ENR1H3
SCHEMBL1992886 0.81 BRD4 (0.40) BRD4PDE10AALDH1A1KDM4EGLA
SCHEMBL1126509 0.81 HTR2A (0.42) BRD4
SCHEMBL1126990 0.81 CNR1 (0.45) BRD4TSHRCNR2ALDH1A1KDM4E
SCHEMBL1126944 0.79 KDM4E (0.41) TYRBRD4TLR8KDM4E

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 TYR 413/4885BRD4 3630/4885PDE10A 2135/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TYR 413/4885BRD4 3630/4885PDE10A 2135/4885

“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.