SCHEMBL1126853

SCHEMBL1126853

COC(=O)c1ccc(NC(=O)C(=O)c2cccn2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 1.00
NPC1 O15118 8/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
MAPT P10636 6/20 1.00
NFKB1 P19838 3/20 1.00
NFKB2 Q00653 3/20 1.00
RELA Q04206 3/20 1.00
PKM P14618 2/20 1.00
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
POLB P06746 4/20 0.68
ALDH1A1 P00352 4/20 0.59
HPGD P15428 1/20 0.59
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
PTPN11 Q06124 1/20 0.48
LMNA P02545 1/20 0.46
NAMPT P43490 1/20 0.46
PTPN1 P18031 1/20 0.46

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 0.82 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL1126351 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL1126761 0.80 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL866607 0.75 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL1126687 0.74 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL11178223 0.72 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL9337819 0.71 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL25240288 0.69 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL1127017 0.69 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL529066 0.69 MEN1 (0.61) RAB9ANPC1SMN1; SMN2MAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP 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-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 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 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.