SCHEMBL7996595

SCHEMBL7996595

Cc1cccc[n+]1CC(=O)c1ccc[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
NAPRT Q6XQN6 1/20 0.45
THRB P10828 1/20 0.43
RAB9A P51151 11/20 0.39
NPC1 O15118 10/20 0.39
SMN1; SMN2 Q16637 8/20 0.39
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MMP14 P50281 1/20 0.36

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 SCHEMBL3890738 0.78 KMT2A (0.57) KMT2ATHRBRAB9ANPC1SMN1; SMN2
SCHEMBL2231665 0.77 KMT2A (0.52) KMT2ATHRBRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1647384 0.75 KMT2A (0.55) KMT2ATHRBRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL3897209 0.73 KMT2A (0.63) KMT2ATHRBRAB9ANPC1SMN1; SMN2
SCHEMBL13394254 0.72 KMT2A (0.70) KMT2ATHRBRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1647594 0.72 KMT2A (0.51) KMT2ANAPRTTHRBRAB9ANPC1
SCHEMBL3403133 0.72 NAPRT (0.60) KMT2ANAPRTTHRBRAB9ANPC1
Bromide SCHEMBL1645919 0.71 KMT2A (0.73) KMT2ATHRBRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL3890163 0.70 KMT2A (0.49) KMT2ATHRBRAB9ANPC1SMN1; SMN2
SCHEMBL8120684 0.70 KMT2A (0.54) KMT2ATHRBRAB9ANPC1SMN1; SMN2

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-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
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 KMT2A 3693/4885NAPRT 2001/4885THRB 3738/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 KMT2A 1472/4885NAPRT 1235/4885THRB 3788/4885

“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.