SCHEMBL1127172

SCHEMBL1127172

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCCCC3)c(F)c2)n1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 6/20 0.45
MTTP P55157 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1126754 0.87 NPY2R (0.45) NPY2RMTTPSMN1; SMN2NPC1RAB9A
SCHEMBL1126788 0.86 KDM4E (0.46) NPY2RMTTPSMN1; SMN2NPC1RAB9A
SCHEMBL1990361 0.86 ALDH1A1 (0.43) NPY2RMTTPSMN1; SMN2NPC1RAB9A
SCHEMBL30234815 0.86 ALDH1A1 (0.43) NPY2RMTTPSMN1; SMN2NPC1RAB9A
SCHEMBL1126696 0.85 MAPT (0.50) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL1126750 0.82 GAA (0.37) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL1127110 0.79 L3MBTL1 (0.46) RAB9AMAPTKDM4EL3MBTL1CYP2C19
SCHEMBL17767339 0.78 GRM5 (0.36) NPY2RMTTPSMN1; SMN2NPC1RAB9A
SCHEMBL19663647 0.78 MAPT (0.36) NPY2RMTTPSMN1; SMN2NPC1RAB9A
SCHEMBL30234567 0.78 GRM5 (0.36) NPY2RMTTPSMN1; SMN2NPC1RAB9A

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 13 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
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.