SCHEMBL1126754

SCHEMBL1126754

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCCCC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 8/20 0.45
MTTP P55157 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 6/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1126614 0.92 NPC1 (0.48) NPY2RMTTPNPC1RAB9AMAPT
SCHEMBL1127172 0.87 NPY2R (0.45) NPY2RMTTPSMN1; SMN2NPC1RAB9A
SCHEMBL1989043 0.85 MAPT (0.38) MAPTTP53KDM4EPOLB
SCHEMBL1990333 0.79 MAPKAPK2 (0.41) NPY2RNPC1RAB9AMAPTCYP3A4
SCHEMBL1127012 0.78 NPC1 (0.40) NPY2RSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1999344 0.77 MAPT (0.41) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL1126788 0.76 KDM4E (0.46) NPY2RMTTPSMN1; SMN2NPC1RAB9A
SCHEMBL1993424 0.76 SLC2A1 (0.37) NPY2RSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL23488090 0.76 WDR5 (0.33) NPY2RSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL24584695 0.76 WDR5 (0.33) NPY2RSMN1; SMN2NPC1RAB9AMAPT

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 NPY2R 1755/4885MTTP 3265/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 NPY2R 1755/4885MTTP 3265/4885SMN1; 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.