SCHEMBL1126833

SCHEMBL1126833

N#CCCn1cccc1C(=O)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
PKM P14618 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 3/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL1126716 0.82 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL1988028 0.80 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL25392281 0.73 KMT2A (0.39) SMN1; SMN2MAPTPOLBKMT2AMEN1
SCHEMBL11022537 0.73 LMNA (0.46) SMN1; SMN2MAPTKMT2AMEN1CNR2
SCHEMBL25393583 0.72 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL1990284 0.71 CNR2 (0.47) SMN1; SMN2MAPTPOLBKMT2AMEN1
SCHEMBL26136405 0.69 KMT2A (0.36) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL10963102 0.68 MEN1 (0.47) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL25391809 0.65 ALDH1A1 (0.39) SMN1; SMN2MAPTPOLBKMT2AMEN1
SCHEMBL21568085 0.65 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO 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-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 RAB9A 729/4885NPC1 491/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 RAB9A 729/4885NPC1 491/4885SMN1; 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.