SCHEMBL1644583

SCHEMBL1644583

Cc1cc(C)nc(CNC(=O)CN(C(=O)C(F)(F)F)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GSTO1 P78417 1/20 0.40
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RXFP1 Q9HBX9 3/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 2/20 0.35
HTT P42858 3/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GLA P06280 1/20 0.34
ALOX12 P18054 1/20 0.34
JAK2 O60674 1/20 0.34
MITF O75030 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
SCHEMBL2230526 0.85 MAPT (0.40) MAPTNPC1RAB9AGSTO1ALDH1A1
SCHEMBL1644584 0.78 MAPT (0.39) MAPTNPC1RAB9AGSTO1ALDH1A1
SCHEMBL2230936 0.77 MAPT (0.43) MAPTNPC1RAB9AGSTO1ALDH1A1
SCHEMBL1126476 0.71 NPC1 (0.48) MAPTNPC1RAB9AGSTO1ALDH1A1
SCHEMBL27458750 0.70 ALDH1A1 (0.59) MAPTNPC1RAB9AGSTO1ALDH1A1
SCHEMBL1647801 0.69 MAPT (0.50) MAPTRAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL2230145 0.69 POLQ (0.36) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL27438395 0.69 ALDH1A1 (0.58) MAPTNPC1RAB9AGSTO1ALDH1A1
SCHEMBL2231864 0.67 POLB (0.47) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1645593 0.66 DRD2 (0.52) MAPTALDH1A1SMN1; SMN2RXFP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 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 (4 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 MAPT 1696/4885NPC1 491/4885RAB9A 729/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885NPC1 491/4885RAB9A 729/4885
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 MAPT 1771/4885NPC1 173/4885RAB9A 2410/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 MAPT 2950/4885NPC1 876/4885RAB9A 2787/4885

“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.