SCHEMBL1126964

SCHEMBL1126964

O=[N+]([O-])c1cccc(F)c1C=CN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 5/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GPR174 Q9BXC1 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 3/20 0.41
PKM P14618 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL1126961 1.00 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL14185148 0.89 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL18816151 0.82 HSD17B10 (0.50) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL18842342 0.82 HSD17B10 (0.50) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL18816144 0.82 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL18816134 0.81 HSD17B10 (0.49) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL16161890 0.81 LMNA (0.37) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL18816129 0.81 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL18816155 0.80 SIGMAR1 (0.45) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL8968649 0.80 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1NPC1RAB9A

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
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 ALDH1A1 219/4885MAPT 1696/4885MAPK1 1181/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885MAPT 1696/4885MAPK1 1181/4885

“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.