SCHEMBL1127213

SCHEMBL1127213

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(-c2ncco2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
PORCN Q9H237 3/20 0.36
FAAH O00519 1/20 0.36
EPHX2 P34913 1/20 0.36
LTA4H P09960 3/20 0.35
USP2 O75604 1/20 0.35
RAB9A P51151 3/20 0.35
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TRPM4 Q8TD43 1/20 0.35
HDAC4 P56524 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CETP P11597 1/20 0.34
WNT3A P56704 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL1127228 0.86 FAAH (0.40) NPC1PORCNFAAHEPHX2LTA4H
SCHEMBL1991279 0.79 DRD4 (0.39) NPC1RAB9ACYP3A4CYP2D6SMN1; SMN2
SCHEMBL15161945 0.78 HTR1A (0.44) CYP3A4SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL1990047 0.78 HCRTR1 (0.38) NPC1PORCNRAB9ACYP3A4CYP2D6
SCHEMBL1996541 0.77 REV1 (0.40) USP2CYP3A4SMN1; SMN2MAPTKDM4E
SCHEMBL1990333 0.77 MAPKAPK2 (0.41) NPC1RAB9ACYP3A4MAPTALDH1A1
SCHEMBL1126855 0.76 RAB9A (0.41) NPC1RAB9AMAPTWNT3AALDH1A1
SCHEMBL1989640 0.76 HCRTR1 (0.39) NPC1USP2RAB9ACYP3A4CYP2D6
SCHEMBL1127378 0.76 HPGD (0.41) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL1126711 0.76 CFTR (0.37) NPC1USP2RAB9ASMN1; SMN2MAPT

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 14 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
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US 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
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 NPC1 491/4885PORCN 3426/4885FAAH 4120/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NPC1 491/4885PORCN 3426/4885FAAH 4120/4885

“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.