SCHEMBL1126712

SCHEMBL1126712

COC(=O)n1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
GABRA1 P14867 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA3 P34903 3/20 0.39
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 1/20 0.36
EGFR P00533 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
GABRA2 P47869 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1127116 0.88 LMNA (0.42) HTTALDH1A1KDM4EL3MBTL1THRB
SCHEMBL1126731 0.80 MMP1 (0.41) GABRA1GABRG2GABRB3GABRA3ALDH1A1
SCHEMBL1127378 0.76 HPGD (0.41) HTTALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1126905 0.75 SMN1; SMN2 (0.36) ALDH1A1KDM4EL3MBTL1THRBEGFR
SCHEMBL23488097 0.75 THRB (0.40) HTTALDH1A1KDM4EL3MBTL1THRB
SCHEMBL1993901 0.74 KDM4E (0.41) HTTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL1126775 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1KMT2AHPGD
SCHEMBL1127423 0.73 TSHR (0.39) ALDH1A1KDM4ETHRBLMNAMAPT
SCHEMBL15161860 0.73 LMNA (0.44) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL1127780 0.73 KDM4E (0.39) ALDH1A1KDM4EL3MBTL1KMT2AHPGD

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 HTT 776/4885GABRA1 2376/4885GABRG2 3178/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HTT 776/4885GABRA1 2376/4885GABRG2 3178/4885

“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.