SCHEMBL1127714

SCHEMBL1127714

Nc1ccc(-c2ncco2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
BACE1 P56817 4/20 0.41
BACE2 Q9Y5Z0 4/20 0.41
HPGDS O60760 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KIT P10721 1/20 0.37
IL2 P60568 1/20 0.37
BRD4 O60885 1/20 0.36
HDAC4 P56524 1/20 0.36
CHRNA7 P36544 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
P2RX7 Q99572 2/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
CFTR P13569 1/20 0.34
RET P07949 2/20 0.34
KDR P35968 2/20 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
SCHEMBL12021842 0.86 MAP4K4 (0.43) LTA4HBACE1BACE2HPGDSIL2
SCHEMBL17531762 0.84 MEN1 (0.48) LTA4HBACE1BACE2HPGDSALDH1A1
SCHEMBL377220 0.79 IL2 (0.46) LTA4HBACE1BACE2HPGDSIL2
SCHEMBL1829295 0.79 ALDH1A1 (0.53) LTA4HBACE1BACE2HPGDSALDH1A1
SCHEMBL27003446 0.79 LTA4H (0.40) LTA4HBACE1BACE2HPGDSIL2
SCHEMBL10317579 0.76 NPC1 (0.51) LTA4HHPGDSALDH1A1KITIL2
SCHEMBL8229045 0.76 LTA4H (0.42) LTA4HBACE1BACE2HPGDSIL2
SCHEMBL12021800 0.76 LTA4H (0.46) LTA4HBACE1BACE2HPGDSIL2
SCHEMBL12021978 0.76 LTA4H (0.42) LTA4HBACE1BACE2HPGDSIL2
SCHEMBL8281253 0.76 GRIN2B (0.46) LTA4HBACE1BACE2HPGDSIL2

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 LTA4H 2697/4885BACE1 1651/4885BACE2 3802/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 LTA4H 2697/4885BACE1 1651/4885BACE2 3802/4885

“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.