SCHEMBL1126879

SCHEMBL1126879

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.37
CFTR P13569 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 3/20 0.34
MCHR1 Q99705 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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 0.92 DGAT1 (0.39) DGAT1CFTRSMN1; SMN2LMNAHTT
SCHEMBL1990441 0.90 DGAT1 (0.38) DGAT1SMN1; SMN2LMNAHTTATM
SCHEMBL1995054 0.90 DGAT1 (0.38) DGAT1CFTRSMN1; SMN2LMNAHTT
SCHEMBL1126673 0.89 LMNA (0.37) DGAT1SMN1; SMN2LMNAHTTMCHR1
SCHEMBL1992518 0.88 DGAT1 (0.38) DGAT1CFTRSMN1; SMN2LMNAHTT
SCHEMBL1126711 0.87 CFTR (0.37) DGAT1CFTRSMN1; SMN2LMNAHTT
SCHEMBL1989640 0.85 HCRTR1 (0.39) DGAT1CFTRSMN1; SMN2LMNAHTT
SCHEMBL1989977 0.84 CFTR (0.35) CFTRSMN1; SMN2LMNAHTTATM
SCHEMBL1644875 0.82 LMNA (0.40) SMN1; SMN2LMNAHTTMCHR1ALDH1A1
SCHEMBL1647340 0.82 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTMCHR1ALDH1A1

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 8 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
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO 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 4315/4885CFTR 2133/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 DGAT1 4315/4885CFTR 2133/4885SMN1; SMN2 2831/4885

“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.