SCHEMBL1127017

SCHEMBL1127017

Cn1cccc1C(=O)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
NFKB1 P19838 3/20 0.64
NFKB2 Q00653 3/20 0.64
RELA Q04206 3/20 0.64
PKM P14618 2/20 0.64
MAPT P10636 5/20 0.63
POLB P06746 3/20 0.63
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 1/20 0.59
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.51
GAA P10253 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL1126366 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1599086 0.77 TSHR (0.52) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1126885 0.76 RAB9A (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1127087 0.76 L3MBTL1 (0.55) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1127977 0.75 L3MBTL1 (0.69) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2295426 0.74 MAPT (0.71) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11732492 0.74 GAA (0.55) RAB9ANPC1MAPTPOLBMEN1
SCHEMBL1126687 0.74 RAB9A (1.00) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1126679 0.74 RAB9A (1.00) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL21138402 0.74 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2MAPTMEN1

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 8 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
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.