SCHEMBL1126778

SCHEMBL1126778

Cc1cc(-c2ccccc2)cn1CCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
FRK P42685 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3B P49841 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
BRD4 O60885 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1126694 0.90 BRD4 (0.42) ALDH1A1BRD4KDM4E
SCHEMBL1127094 0.85 TYR (0.49) TSHRALDH1A1BRD4KDM4ENPC1
SCHEMBL1126929 0.81 TYR (0.46) TSHRALDH1A1BRD4KDM4ETYR
SCHEMBL1127089 0.81 GLO1 (0.42) ALDH1A1BRD4TDP1NPC1RAB9A
SCHEMBL1127207 0.80 GLO1 (0.39) ALDH1A1BRD4TDP1MAPTTP53
SCHEMBL1127073 0.79 BRD4 (0.42) ALDH1A1BRD4KDM4E
SCHEMBL1126585 0.77 BRD4 (0.42) TSHRALDH1A1BRD4MAPTKDM4E
SCHEMBL1126990 0.77 CNR1 (0.45) TSHRGSK3BALDH1A1BRD4TDP1
SCHEMBL1992886 0.77 BRD4 (0.40) ALDH1A1BRD4MAPTKDM4ENPC1
SCHEMBL1126509 0.77 HTR2A (0.42) BRD4

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 TSHR 1769/4885PRKD3 2424/4885MAP4K4 3937/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TSHR 1769/4885PRKD3 2424/4885MAP4K4 3937/4885

“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.