SCHEMBL1994121

SCHEMBL1994121

O=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cc1)C(=O)c1c(-c2ccccc2)cc2n1CCOC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 7/20 0.41
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 4/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.39
KCNK3 O14649 1/20 0.39
DGAT1 O75907 1/20 0.39
HTT P42858 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL1988718 0.90 CHRNA7 (0.41) ALDH1A1KDM4EHSD17B10NPSR1MAPT
SCHEMBL1990351 0.89 DGAT1 (0.42) ALDH1A1KDM4EHSD17B10NPSR1MAPT
SCHEMBL2007078 0.88 REV1 (0.40) ALDH1A1HSD17B10MAPTLMNAL3MBTL1
SCHEMBL1993691 0.88 MAPT (0.42) ALDH1A1KDM4EHSD17B10NPSR1MAPT
SCHEMBL1988997 0.87 THRB (0.45) ALDH1A1KDM4EHSD17B10NPSR1THRB
SCHEMBL943790 0.86 THRB (0.44) ALDH1A1KDM4EHSD17B10NPSR1THRB
SCHEMBL1988433 0.86 MAPT (0.40) ALDH1A1HSD17B10NPSR1MAPTLMNA
SCHEMBL1993154 0.85 MAPT (0.43) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL942621 0.85 MAPT (0.44) ALDH1A1KDM4EHSD17B10NPSR1THRB
SCHEMBL1127380 0.85 MAPT (0.41) ALDH1A1HSD17B10NPSR1MAPTLMNA

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 6 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-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

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 219/4885KDM4E 1706/4885HPGD 2971/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885KDM4E 1706/4885HPGD 2971/4885

“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.