SCHEMBL1127378

SCHEMBL1127378

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.40
MITF O75030 1/20 0.40
NOD1 Q9Y239 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 4/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HBB P68871 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GALR3 O60755 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1126775 0.94 ALDH1A1 (0.40) HPGDTP53MITFNOD1GAA
SCHEMBL1127780 0.93 KDM4E (0.39) HPGDTP53MITFNOD1GAA
SCHEMBL15161860 0.89 LMNA (0.44) HPGDALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1127123 0.89 ALDH1A1 (0.40) HPGDTP53MITFNOD1GAA
SCHEMBL1126904 0.88 PPARG (0.35) HPGDTP53MITFNOD1GAA
SCHEMBL1126938 0.88 KDM4E (0.43) HPGDGAAALDH1A1LMNATSHR
SCHEMBL1126982 0.86 TP53 (0.35) TP53GAAALDH1A1LMNATSHR
SCHEMBL1127235 0.86 THRB (0.37) HPGDGAAALDH1A1LMNATSHR
SCHEMBL15161896 0.85 CNR1 (0.38) HPGDALDH1A1CNR1CNR2LMNA
SCHEMBL1126951 0.85 CASR (0.39) HPGDALDH1A1CNR1CNR2LMNA

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 HPGD 2971/4885TP53 1227/4885MITF 2459/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HPGD 2971/4885TP53 1227/4885MITF 2459/4885

“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.