SCHEMBL1993070

SCHEMBL1993070

CCc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5cccs5)cc(C)n4C)cc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
REV1 Q9UBZ9 3/20 0.37
POLB P06746 2/20 0.37
CYP2C19 P33261 1/20 0.37
MAP3K7 O43318 1/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
HCRTR1 O43613 1/20 0.35

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 0.90 HCRTR1 (0.44) MAPTALDH1A1KDM4EDRD2DRD4
SCHEMBL1997118 0.88 ALDH1A1 (0.46) MAPTALDH1A1KDM4EDRD2DRD4
SCHEMBL1992803 0.88 REV1 (0.44) MAPTALDH1A1KDM4EDRD2DRD4
SCHEMBL1126602 0.85 DRD2 (0.38) MAPTALDH1A1KDM4EDRD2DRD4
SCHEMBL1995053 0.85 MAPT (0.40) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL1993167 0.85 PANK3 (0.42) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL1992455 0.83 NPC1 (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL1126869 0.82 NPC1 (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL1990466 0.80 NPC1 (0.41) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL1996541 0.79 REV1 (0.40) MAPTALDH1A1KDM4EDRD2DRD4

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

“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.