SCHEMBL1126717

SCHEMBL1126717

COC(=O)Cn1ccc(-c2cccs2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.43
MIF P14174 1/20 0.43
GRIN2B Q13224 3/20 0.40
HDAC2 Q92769 2/20 0.39
KDM4E B2RXH2 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 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
SCHEMBL1127048 0.82 AKR1B1 (0.47) GRIN2BHDAC2KDM4EPOLBHSD17B10
SCHEMBL1126796 0.78 CNR2 (0.46) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL1126680 0.77 KDM4E (0.41) NR4A2KDM4ERAB9ASMN1; SMN2HSD17B10
SCHEMBL21233125 0.71 CA12 (0.42) KDM4EPOLBSMN1; SMN2HSD17B10HTT
SCHEMBL12646509 0.70 FFAR1 (0.52) HDAC2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5319798 0.69 MIF (0.46) NR4A2MIFHDAC2KDM4ENPC1
SCHEMBL22951294 0.67 CA12 (0.40) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL1126792 0.67 RAB9A (0.47) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL9208101 0.67 KDM4E (0.49) KDM4EPOLBSMN1; SMN2HSD17B10HTT
SCHEMBL9401067 0.67 CYP3A4 (0.41) NR4A2HDAC2KDM4ENPC1SMN1; SMN2

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 NR4A2 3773/4885MIF 3008/4885GRIN2B 2399/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NR4A2 3773/4885MIF 3008/4885GRIN2B 2399/4885

“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.