SCHEMBL1127212

SCHEMBL1127212

Cc1cc(C)nc(N(C)CCCc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc(C)n3C)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
PPARG P37231 2/20 0.36
NTRK1 P04629 2/20 0.36
NTRK2 Q16620 1/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 3/20 0.34
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MCL1 Q07820 1/20 0.34
LPAR1 Q92633 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
SCHEMBL1993613 0.92 LMNA (0.37) MCHR1SMN1; SMN2HTTLMNAMAPT
SCHEMBL1988907 0.91 LMNA (0.38) MCHR1SMN1; SMN2HTTLMNAMAPT
SCHEMBL1126673 0.88 LMNA (0.37) MCHR1SMN1; SMN2HTTLMNAPPARG
SCHEMBL1646058 0.88 SMN1; SMN2 (0.39) MCHR1SMN1; SMN2HTTLMNAPPARG
SCHEMBL1992166 0.88 GAA (0.34) NTRK1NTRK2MAPTALDH1A1NPC1
SCHEMBL1647394 0.88 SMN1; SMN2 (0.51) MCHR1SMN1; SMN2HTTLMNAPPARG
SCHEMBL1645794 0.87 LMNA (0.43) MCHR1SMN1; SMN2HTTLMNAPPARG
SCHEMBL1647371 0.86 HTT (0.42) MCHR1SMN1; SMN2HTTLMNAPPARG
SCHEMBL1988542 0.86 RIPK2 (0.38) MCHR1SMN1; SMN2HTTLMNAMAPT
SCHEMBL1126429 0.85 DGAT1 (0.36) MCHR1SMN1; SMN2HTTLMNAPPARG

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 7 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
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 MCHR1 451/4885SMN1; SMN2 2831/4885HTT 776/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MCHR1 451/4885SMN1; SMN2 2831/4885HTT 776/4885

“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.