SCHEMBL1992483

SCHEMBL1992483

Cc1cc(C)nc(NCCNc2ccc(NC(=O)C(=O)c3c(-c4cccs4)cc(C)n3C)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KLK7 P49862 1/20 0.37
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APP P05067 1/20 0.35
POLB P06746 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 2/20 0.34
GBA1 P04062 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL1993708 0.90 ALDH1A1 (0.36) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL1989972 0.88 KDM4E (0.36) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL1989286 0.87 SMN1; SMN2 (0.38) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL1987574 0.86 GAA (0.35) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL1989974 0.86 GAA (0.35) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL1989308 0.81 MAPT (0.37) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL1990146 0.81 GAA (0.35) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL1126869 0.80 NPC1 (0.43) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL1990917 0.80 GAA (0.34) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL1992166 0.79 GAA (0.34) KDM4EALDH1A1NPC1RAB9AMAPT

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-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 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 KDM4E 1706/4885ALDH1A1 219/4885NPC1 491/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KDM4E 1706/4885ALDH1A1 219/4885NPC1 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.