SCHEMBL18814554

SCHEMBL18814554

COc1cccc(N2C(=O)Nc3ccccc3S2(=O)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
THRB P10828 1/20 0.55
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.43
MGLL Q99685 1/20 0.43
LMNA P02545 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CYP1A2 P05177 1/20 0.41
FBP1 P09467 1/20 0.41
CHEK1 O14757 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
SCHEMBL16680199 0.89 KMT2A (0.59) KMT2AMEN1THRBMAPTKDM4E
SCHEMBL10570775 0.84 THRB (0.49) KMT2AMEN1THRBMAPTKDM4E
SCHEMBL10574109 0.82 KMT2A (0.49) KMT2AMEN1THRBMAPTKDM4E
SCHEMBL15587734 0.80 KMT2A (0.62) KMT2AMEN1THRBMAPTKDM4E
SCHEMBL15587942 0.80 MEN1 (0.58) KMT2AMEN1THRBMAPTGAA
SCHEMBL15587727 0.80 KMT2A (0.55) KMT2AMEN1THRBMAPTKDM4E
SCHEMBL15587899 0.80 KMT2A (0.55) KMT2AMEN1THRBMAPTKDM4E
SCHEMBL10572660 0.80 NTRK1 (0.50) KMT2AMEN1THRBMAPTKDM4E
SCHEMBL15587517 0.79 KMT2A (0.48) KMT2AMEN1THRBMAPTKDM4E
SCHEMBL18814154 0.78 KMT2A (0.78) KMT2AMEN1THRBMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850237-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
US-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 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 (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-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R KMT2A 1060/4885MEN1 3296/4885THRB 267/4885

“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.