SCHEMBL1126429

SCHEMBL1126429

COCCn1ccc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(CCCN(C)c2cc(C)cc(C)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.36
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
MCHR1 Q99705 2/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
POLB P06746 1/20 0.32
NR3C1 P04150 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
SCHEMBL1127212 0.85 MCHR1 (0.37) MAPTMCHR1PPARGPPARALMNA
SCHEMBL1995054 0.82 DGAT1 (0.38) DGAT1MAPTMCHR1LMNAHTT
SCHEMBL1647394 0.82 SMN1; SMN2 (0.51) KDM4EMAPTMCHR1PPARGPPARA
SCHEMBL1645794 0.81 LMNA (0.43) MAPTMCHR1PPARGPPARALMNA
SCHEMBL1646058 0.80 SMN1; SMN2 (0.39) MAPTMCHR1PPARGPPARALMNA
SCHEMBL1992766 0.80 DGAT1 (0.39) DGAT1MAPTMCHR1LMNAHTT
SCHEMBL1647371 0.80 HTT (0.42) MAPTMCHR1PPARGPPARALMNA
SCHEMBL2233955 0.80 LMNA (0.40) KDM4EMAPTMCHR1LMNAHTT
SCHEMBL1991888 0.79 TRPV1 (0.34) MAPTMCHR1PPARGPPARALMNA
SCHEMBL1645350 0.79 HTT (0.41) KDM4EMAPTMCHR1PPARGPPARA

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 4315/4885KDM4E 1706/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 DGAT1 4315/4885KDM4E 1706/4885MAPT 1696/4885

“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.