SCHEMBL1990441

SCHEMBL1990441

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(OCCN(C)c2cc(C)cc(C)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.38
MCHR1 Q99705 2/20 0.36
RIPK2 O43353 2/20 0.35
ACVR1 Q04771 2/20 0.35
NOD2 Q9HC29 2/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 2/20 0.34
SRC P12931 1/20 0.34
BTK Q06187 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL1992766 0.91 DGAT1 (0.39) DGAT1MCHR1LMNAMAPTMEN1
SCHEMBL1988542 0.91 RIPK2 (0.38) DGAT1MCHR1RIPK2ACVR1NOD2
SCHEMBL1126879 0.90 DGAT1 (0.37) DGAT1MCHR1LMNAMAPTMEN1
SCHEMBL1995054 0.90 DGAT1 (0.38) DGAT1MCHR1LMNAMAPTALDH1A1
SCHEMBL1990047 0.87 HCRTR1 (0.38) LMNAMAPTMEN1NPC1ALDH1A1
SCHEMBL1647758 0.84 LMNA (0.39) DGAT1MCHR1RIPK2ACVR1NOD2
SCHEMBL1646520 0.84 SMN1; SMN2 (0.50) DGAT1MCHR1RIPK2ACVR1NOD2
SCHEMBL1645695 0.83 LMNA (0.42) DGAT1MCHR1RIPK2ACVR1NOD2
SCHEMBL1646317 0.83 LMNA (0.41) DGAT1MCHR1LMNAMAPTMEN1
SCHEMBL1646663 0.83 LMNA (0.42) DGAT1MCHR1RIPK2ACVR1NOD2

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 DGAT1 4315/4885MCHR1 451/4885RIPK2 3374/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 DGAT1 4315/4885MCHR1 451/4885RIPK2 3374/4885

“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.