SCHEMBL1127050

SCHEMBL1127050

O=[N+]([O-])c1ccc(-c2ncco2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 5/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
IDO1 P14902 1/20 0.39
RECQL P46063 1/20 0.39
TDO2 P48775 1/20 0.39
BLM P54132 1/20 0.39
CASP6 P55212 1/20 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
SCHEMBL6354500 0.88 MAPT (0.47) TDP1ATMKCNJ1KCNH2NPC1
SCHEMBL1830727 0.82 NPC1 (0.55) KCNJ1KCNH2NPC1RAB9AMAPT
SCHEMBL29033804 0.81 KCNJ1 (0.44) TDP1KCNJ1KCNH2NPC1RAB9A
SCHEMBL27218089 0.79 MAPT (0.55) KCNJ1KCNH2MAPTLMNAALDH1A1
SCHEMBL18731512 0.77 KCNJ1 (0.45) TDP1KCNJ1KCNH2NPC1RAB9A
SCHEMBL984873 0.74 KCNJ1 (0.67) KCNJ1KCNH2NPC1RAB9AMAPT
SCHEMBL377220 0.73 IL2 (0.46) LTA4HIL2BRD4HPGDS
SCHEMBL1127714 0.73 LTA4H (0.42) KCNJ1KCNH2ALDH1A1LTA4HIL2
SCHEMBL30734310 0.73 TP53 (0.47) KCNJ1KCNH2MAPTMEN1KMT2A
SCHEMBL4649622 0.73 NPC1 (0.57) KCNJ1KCNH2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250399-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
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 TDP1 903/4885ATM 4142/4885KCNJ1 1791/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TDP1 903/4885ATM 4142/4885KCNJ1 1791/4885

“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.