SCHEMBL1127228

SCHEMBL1127228

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(-c3ncco3)cc2)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
EPHX2 P34913 1/20 0.40
HDAC4 P56524 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LTA4H P09960 1/20 0.38
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
PORCN Q9H237 3/20 0.37
WNT3A P56704 1/20 0.37
JAK3 P52333 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
IL2 P60568 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL1126635 0.88 JAK3 (0.38) FAAHNPC1RAB9AJAK3LMNA
SCHEMBL1127213 0.86 NPC1 (0.39) FAAHEPHX2HDAC4NPC1RAB9A
SCHEMBL1988597 0.85 IL2 (0.41) HDAC4LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL1645643 0.82 L3MBTL1 (0.53) FAAHEPHX2HDAC4NPC1RAB9A
SCHEMBL1126812 0.81 ALDH1A1 (0.48) NPC1RAB9ALMNAHTTALDH1A1
SCHEMBL1127158 0.81 FAAH (0.42) FAAHEPHX2HDAC4NPC1RAB9A
SCHEMBL1126931 0.76 RAB9A (0.46) NPC1RAB9ALMNAHTTALDH1A1
SCHEMBL1126539 0.76 TRPV1 (0.40) NPC1RAB9AHTTALDH1A1MAPT
SCHEMBL1993111 0.75 ALDH1A1 (0.42) NPC1RAB9ALMNAHTTALDH1A1
SCHEMBL30235338 0.75 ALDH1A1 (0.42) NPC1RAB9ALMNAHTTALDH1A1

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 12 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-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 FAAH 4120/4885EPHX2 4421/4885HDAC4 2639/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 FAAH 4120/4885EPHX2 4421/4885HDAC4 2639/4885

“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.