SCHEMBL1127110

SCHEMBL1127110

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)n1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
DGAT1 O75907 7/20 0.44
CYP1A2 P05177 2/20 0.43
RAB9A P51151 2/20 0.43
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
WNT3A P56704 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
MAPT P10636 2/20 0.40
CYP2C19 P33261 1/20 0.40
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL1989407 0.86 PANK3 (0.44) L3MBTL1DGAT1CYP1A2RAB9AWNT3A
SCHEMBL1126696 0.83 MAPT (0.50) L3MBTL1CYP1A2RAB9AMAPTCYP2C19
SCHEMBL30235329 0.82 ALDH1A1 (0.48) MAPTKDM4E
SCHEMBL1992485 0.82 ALDH1A1 (0.48) MAPTKDM4E
SCHEMBL1127172 0.79 NPY2R (0.45) L3MBTL1RAB9AMAPTCYP2C19KDM4E
SCHEMBL1126649 0.79 ALDH1A1 (0.43) DGAT1CYP1A2RAB9AWNT3AMAPT
SCHEMBL30235338 0.78 ALDH1A1 (0.42) RAB9AMAPTCYP2C19KDM4E
SCHEMBL1993111 0.78 ALDH1A1 (0.42) RAB9AMAPTCYP2C19KDM4E
SCHEMBL1990361 0.78 ALDH1A1 (0.43) RAB9AMAPTKDM4E
SCHEMBL30234815 0.78 ALDH1A1 (0.43) RAB9AMAPTKDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US claimed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed
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

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 L3MBTL1 1045/4885KCNQ3 2777/4885KCNQ2 2701/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 L3MBTL1 1045/4885KCNQ3 2777/4885KCNQ2 2701/4885

“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.