SCHEMBL1644973

SCHEMBL1644973

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.39
ACHE P22303 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.36
JAK2 O60674 1/20 0.36
MITF O75030 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL1646716 0.74 MAPT (0.40) MAPTALDH1A1HTTACHEHSD17B10
SCHEMBL942774 0.73 MAPT (0.52) MAPTALDH1A1HTTACHEHSD17B10
SCHEMBL942649 0.72 MAPT (0.45) MAPTALDH1A1HTTACHEHSD17B10
SCHEMBL943658 0.72 MAPT (0.57) MAPTALDH1A1HTTACHEHSD17B10
SCHEMBL1647423 0.70 MAPT (0.42) MAPTALDH1A1HTTACHEHSD17B10
SCHEMBL1177204 0.69 TSHR (0.57) MAPTALDH1A1TSHRLMNAL3MBTL1
SCHEMBL1644584 0.69 MAPT (0.39) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL1645549 0.68 MAPT (0.46) MAPTHTTTSHRL3MBTL1
SCHEMBL2231651 0.68 MAPT (0.42) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL4506327 0.67 POLB (0.44) MAPTALDH1A1HTTTSHRNPC1

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 9 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
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 CN disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 CN disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 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 MAPT 1696/4885ALDH1A1 219/4885HTT 776/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885ALDH1A1 219/4885HTT 776/4885

“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.