SCHEMBL1127276

SCHEMBL1127276

CCOCn1cc(-c2ccccc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
GRIN2B Q13224 3/20 0.34
GAA P10253 3/20 0.33
GLA P06280 2/20 0.33
SLC2A1 P11166 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAOB P27338 1/20 0.33
GRIK2 Q13002 1/20 0.32
RCE1 Q9Y256 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
SCHEMBL1127469 0.87 BRD4 (0.38) BRD4KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1126608 0.84 ALDH1A1 (0.39) BRD4ALDH1A1TSHRRAB9A
SCHEMBL1126844 0.84 KDM4E (0.46) BRD4KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL1988099 0.83 BRD4 (0.37) BRD4KDM4EALDH1A1HPGDGAA
SCHEMBL1126944 0.81 KDM4E (0.41) BRD4KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL1126585 0.80 BRD4 (0.42) BRD4KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL1126929 0.77 TYR (0.46) BRD4KDM4EALDH1A1TSHRGAA
SCHEMBL1126957 0.76 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL1127040 0.76 ALDH1A1 (0.38) BRD4KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL1127073 0.76 BRD4 (0.42) BRD4KDM4EALDH1A1HPGDGAA

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 BRD4 3630/4885KDM4E 1706/4885ALDH1A1 219/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885KDM4E 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.