SCHEMBL1997118

SCHEMBL1997118

Cc1cc(-c2cccs2)c(C(=O)C(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)cc2)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAP3K7 O43318 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 4/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
DRD4 P21917 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
PANK3 Q9H999 1/20 0.40
HTR1A P08908 2/20 0.40

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
SCHEMBL1991665 0.91 HCRTR1 (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2MAPK1
SCHEMBL1993167 0.90 PANK3 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL1992455 0.88 NPC1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL1993070 0.88 MAPT (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL1992485 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMAPK1NPSR1
SCHEMBL30235329 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMAPK1NPSR1
SCHEMBL1126869 0.86 NPC1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL1995053 0.85 MAPT (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL1990466 0.84 NPC1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL1989407 0.79 PANK3 (0.44) ALDH1A1KDM4EMAPTNPC1RAB9A

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 5 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-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 1706/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885KDM4E 1706/4885MAPT 1696/4885

“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.