SCHEMBL1991665

SCHEMBL1991665

Cc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5cccs5)cc(C)n4C)cc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MAP3K7 O43318 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GBA1 P04062 1/20 0.37
FLT3 P36888 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL1997118 0.91 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL1993070 0.90 MAPT (0.39) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL1993167 0.89 PANK3 (0.42) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL1126869 0.88 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL30235338 0.87 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL1993111 0.87 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL1990466 0.86 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL1992455 0.86 NPC1 (0.43) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL1995053 0.83 MAPT (0.40) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL1992485 0.78 ALDH1A1 (0.48) KDM4EMAPTALDH1A1KMT2ALMNA

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 HCRTR1 1092/4885HCRTR2 3375/4885NPC1 491/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HCRTR1 1092/4885HCRTR2 3375/4885NPC1 491/4885

“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.