SCHEMBL2230710

SCHEMBL2230710

Cc1cccc[n+]1CC(=O)c1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
AHR P35869 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MEN1 O00255 3/20 0.61
THRB P10828 1/20 0.56
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GSK3B P49841 1/20 0.44
POLB P06746 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
Bromide SCHEMBL1645730 0.98 KMT2A (0.70) KMT2AAHRL3MBTL1MEN1THRB
SCHEMBL13394254 0.87 KMT2A (0.70) KMT2AAHRL3MBTL1MEN1THRB
Bromide SCHEMBL3884058 0.86 KMT2A (0.74) KMT2AAHRL3MBTL1MEN1THRB
Bromide SCHEMBL1645919 0.85 KMT2A (0.73) KMT2AAHRL3MBTL1MEN1THRB
SCHEMBL4896174 0.84 KMT2A (0.68) KMT2AAHRL3MBTL1MEN1THRB
Bromide SCHEMBL3884195 0.83 KMT2A (0.70) KMT2AAHRL3MBTL1MEN1THRB
Bromide SCHEMBL3885379 0.80 KMT2A (0.66) KMT2AAHRL3MBTL1MEN1THRB
Bromide SCHEMBL28152583 0.80 KMT2A (0.63) KMT2AAHRL3MBTL1MEN1KDM4E
Bromide SCHEMBL28139524 0.80 KMT2A (0.63) KMT2AAHRL3MBTL1MEN1KDM4E
Bromide SCHEMBL6218010 0.80 KMT2A (0.65) KMT2AAHRL3MBTL1MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 KMT2A 3693/4885AHR 543/4885L3MBTL1 4094/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 KMT2A 1472/4885AHR 346/4885L3MBTL1 1723/4885

“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.