SCHEMBL1126687

SCHEMBL1126687

Cn1cccc1C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 1.00
NPC1 O15118 8/20 1.00
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
POLB P06746 3/20 1.00
ALDH1A1 P00352 2/20 1.00
HPGD P15428 2/20 1.00
SMN1; SMN2 Q16637 8/20 0.76
MAPT P10636 5/20 0.76
NFKB1 P19838 3/20 0.76
NFKB2 Q00653 3/20 0.76
RELA Q04206 3/20 0.76
PKM P14618 2/20 0.68
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL1126351 0.87 RAB9A (1.00) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1126366 0.81 RAB9A (1.00) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1126363 0.79 RAB9A (0.67) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1126853 0.74 RAB9A (1.00) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1126474 0.74 MEN1 (1.00) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1127017 0.74 RAB9A (0.64) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1126761 0.73 RAB9A (0.76) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL9337819 0.73 RAB9A (0.61) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1126867 0.70 RAB9A (0.62) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1126857 0.69 KMT2A (0.64) RAB9ANPC1MEN1KMT2APOLB

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 12 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
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-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 491/4885MEN1 77/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 RAB9A 729/4885NPC1 491/4885MEN1 77/4885

“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.