SCHEMBL1127012

SCHEMBL1127012

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3cc(C)cc(C)n3)CC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
CHRM1 P11229 6/20 0.39
CHRM5 P08912 3/20 0.38
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
NPY2R P49146 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1126471 0.89 LMNA (0.38) NPC1RAB9ANPY2RALDH1A1LMNA
SCHEMBL1126444 0.88 NPC1 (0.41) NPC1RAB9ACHRM1CHRM5CHRM3
SCHEMBL1993424 0.87 SLC2A1 (0.37) NPC1RAB9ANPY2RSMN1; SMN2ALDH1A1
SCHEMBL1128005 0.86 MAPT (0.36) CHRM3NPY2RALDH1A1MEN1MAPT
SCHEMBL1993703 0.85 LMNA (0.37) NPC1RAB9ANPY2RSMN1; SMN2ALDH1A1
SCHEMBL1127036 0.84 LMNA (0.37) NPC1RAB9ANPY2RSMN1; SMN2ALDH1A1
SCHEMBL1126811 0.83 MAPT (0.36) CHRM3LMNAMAPT
SCHEMBL1127558 0.82 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1127916 0.82 MAPT (0.36) NPC1RAB9ANPY2RALDH1A1LMNA
SCHEMBL1126481 0.82 KCNA5 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US claimed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
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-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 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 NPC1 491/4885RAB9A 729/4885CHRM1 153/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NPC1 491/4885RAB9A 729/4885CHRM1 153/4885

“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.