SCHEMBL17536367

SCHEMBL17536367

CC[CH]C(=O)Nc1ccc(Oc2ccc(C#N)c(OCC)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB1 P16118 5/20 0.42
PFKFB2 O60825 4/20 0.42
PFKFB3 Q16875 4/20 0.42
AR P10275 2/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
IL18 Q14116 1/20 0.40
PLA2G7 Q13093 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL17536365 0.90 AR (0.54) PFKFB1PFKFB2PFKFB3ARALDH1A1
SCHEMBL17536369 0.83 MTNR1B (0.56) PFKFB1PFKFB2PFKFB3POLBTP53
SCHEMBL12594099 0.81 PFKFB2 (0.44) PFKFB1PFKFB2PFKFB3ARLMNA
SCHEMBL17350098 0.81 AR (0.47) PFKFB1PFKFB2PFKFB3ARLMNA
SCHEMBL12594168 0.81 PFKFB1 (0.47) PFKFB1PFKFB2PFKFB3ARMAPT
SCHEMBL13720495 0.81 PFKFB1 (0.47) PFKFB1PFKFB2PFKFB3ARMAPT
SCHEMBL17350077 0.80 PFKFB2 (0.49) PFKFB1PFKFB2PFKFB3ALDH1A1POLB
SCHEMBL21908517 0.80 PFKFB3 (0.46) PFKFB1PFKFB2PFKFB3ARLMNA
SCHEMBL17350060 0.79 ALDH1A1 (0.46) ARLMNAMAPTALDH1A1MEN1
SCHEMBL13720598 0.79 AR (0.42) PFKFB1PFKFB2PFKFB3ARRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2016-03-03 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 (1 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-20160058737-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 PFKFB1 2930/4885PFKFB2 3063/4885PFKFB3 2098/4885

“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.