SCHEMBL14019865

SCHEMBL14019865

COc1ccc(OC)c(CC(=O)NC(=S)NC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.55
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ GLS O94925 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ANO1 Q5XXA6 1/20 0.43

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
SCHEMBL172027 0.86 HSD17B10 (0.58) HSD17B10KMT2AMEN1NPSR1ALDH1A1
SCHEMBL10202724 0.83 ATM (0.55) KMT2AMEN1NPSR1ALDH1A1CYP1A2
SCHEMBL171970 0.82 KMT2A (0.59) HSD17B10KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL17993524 0.82 HSD17B10 (0.60) HSD17B10KMT2AMEN1NPSR1GLS
SCHEMBL2826592 0.78 HSD17B10 (0.67) HSD17B10KMT2AMEN1GLSSIGMAR1
SCHEMBL13485784 0.77 HSD17B10 (0.69) HSD17B10KMT2AMEN1ALDH1A1GLS
SCHEMBL6500250 0.76 HSD17B10 (0.67) HSD17B10KMT2AMEN1NPSR1ALDH1A1
SCHEMBL13012062 0.74 HSD17B10 (0.69) HSD17B10KMT2AMEN1SIGMAR1MTNR1A
SCHEMBL30104106 0.73 HSD17B10 (0.73) HSD17B10KMT2AMEN1ALDH1A1GLS
SCHEMBL4981706 0.73 HSD17B10 (0.73) HSD17B10KMT2AMEN1ALDH1A1GLS

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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 — — US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 — — 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 HSD17B10 3486/4885KMT2A 811/4885MEN1 1165/4885

“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.

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