SCHEMBL1126716

SCHEMBL1126716

O=C(O)CCn1cccc1C(=O)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.51
RAB9A P51151 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NFKB1 P19838 4/20 0.51
NFKB2 Q00653 4/20 0.51
RELA Q04206 4/20 0.51
PKM P14618 2/20 0.51
MAPT P10636 5/20 0.48
POLB P06746 4/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL1126833 0.82 RAB9A (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5508305 0.73 PARP1 (0.46) SMN1; SMN2MAPTPOLBKMT2AMEN1
SCHEMBL17234166 0.71 PARP1 (0.49) MAPTKMT2AMEN1ALDH1A1
SCHEMBL9852009 0.70 BRD4 (0.44) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL1126366 0.68 RAB9A (1.00) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL21568085 0.67 ALDH1A1 (0.67) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7095470 0.67 CYP1A1 (0.70) MAPTPOLBKMT2AMEN1L3MBTL1
SCHEMBL1389098 0.67 KDM1A (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2200065 0.66 PTPN1 (0.61) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL21698115 0.66 FPR2 (0.81) SMN1; SMN2

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-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
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-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 491/4885RAB9A 729/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NPC1 491/4885RAB9A 729/4885SMN1; SMN2 2831/4885

“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.