SCHEMBL1126931

SCHEMBL1126931

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc3ccccc3c2)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.46
NPC1 O15118 10/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
ALDH1A1 P00352 6/20 0.46
CYP1A2 P05177 3/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
HPGD P15428 2/20 0.46
ALOX12 P18054 1/20 0.46
KDM4E B2RXH2 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL1127545 0.83 RAB9A (0.50) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL1126812 0.81 ALDH1A1 (0.48) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1127303 0.80 CHRNB2 (0.50) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1646488 0.79 L3MBTL1 (0.61) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1126696 0.78 MAPT (0.50) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1126487 0.78 MAPT (0.51) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1127172 0.77 NPY2R (0.45) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1127228 0.76 FAAH (0.40) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL1126896 0.75 RAB9A (0.49) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1991373 0.75 HCRTR1 (0.39) RAB9ANPC1MAPTMEN1KMT2A

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 RAB9A 729/4885NPC1 491/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 RAB9A 729/4885NPC1 491/4885MAPT 1696/4885

“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.