SCHEMBL1126679

SCHEMBL1126679

Cn1cccc1C(=O)C(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 1.00
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 5/20 0.59
NFKB1 P19838 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
PKM P14618 2/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
POLB P06746 6/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL1126857 0.77 KMT2A (0.64) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL1126885 0.75 RAB9A (0.59) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL1126366 0.75 RAB9A (1.00) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL3415036 0.75 RAB9A (0.58) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL1126474 0.74 MEN1 (1.00) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL1127017 0.74 RAB9A (0.64) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL1127288 0.74 L3MBTL1 (0.66) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL12666632 0.73 RAB9A (0.58) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL1126867 0.73 RAB9A (0.62) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL20827124 0.73 POLB (0.59) RAB9ASMN1; SMN2MEN1KMT2APOLB

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 729/4885SMN1; SMN2 2831/4885NPC1 491/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 RAB9A 729/4885SMN1; SMN2 2831/4885NPC1 491/4885

“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.