SCHEMBL1126698

SCHEMBL1126698

COCCn1ccc(-c2ccsc2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CYP2A6 P11509 3/20 0.36
FYN P06241 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NR4A2 P43354 1/20 0.36
CYP2E1 P05181 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP17A1 P05093 2/20 0.35
HTR1D P28221 1/20 0.35
KDR P35968 1/20 0.33
MET P08581 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL1127486 0.77 ALDH1A1 (0.42) ALDH1A1HPGD
SCHEMBL7148100 0.76 SIGMAR1 (0.40) ALDH1A1KDRHSD17B10
SCHEMBL1126680 0.75 KDM4E (0.41) KDM4EALDH1A1NR4A2HPGDHSD17B10
SCHEMBL1127441 0.74 MAP4K4 (0.40) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9826386 0.72 CYP2A6 (0.45) CYP2A6NR4A2CYP2E1CYP2B6CYP17A1
SCHEMBL28131241 0.70 ALDH1A1 (0.41) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1127130 0.70 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10
SCHEMBL1516128 0.69 ALDH1A1 (0.34) POLBALDH1A1HPGDHSD17B10
SCHEMBL1126659 0.68 GLA (0.40) CYP2A6KDM4EALDH1A1HSD17B10
SCHEMBL1516126 0.67 ALDH1A1 (0.33) ALDH1A1

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 POLB 3827/4885CYP2A6 577/4885FYN 1149/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 POLB 3827/4885CYP2A6 577/4885FYN 1149/4885

“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.