SCHEMBL18512307

SCHEMBL18512307

COC(=O)c1cc(Br)cc(I)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 7/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.41
▸ SOS1 Q07889 1/20 0.40
▸ TPMT P51580 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL1530644 0.82 KDM4E (0.45) HSD17B10KDM4EALDH1A1HPGDNPSR1
SCHEMBL9176089 0.82 HSD17B10 (0.51) HSD17B10KDM4EPKMALDH1A1HPGD
SCHEMBL4113785 0.82 HSD17B10 (0.71) HSD17B10KDM4EPKMALDH1A1HPGD
SCHEMBL29784359 0.81 SLC6A3 (0.41) HSD17B10KDM4EALDH1A1POLBL3MBTL1
SCHEMBL3599330 0.81 KDM4E (0.58) HSD17B10KDM4EPKMALDH1A1HPGD
SCHEMBL24837041 0.81 KDM4E (0.44) HSD17B10KDM4EPKMALDH1A1HPGD
SCHEMBL16047705 0.81 SLC6A3 (0.41) HSD17B10KDM4EALDH1A1POLBL3MBTL1
SCHEMBL21200015 0.81 SLC6A3 (0.41) HSD17B10KDM4EPKMALDH1A1L3MBTL1
SCHEMBL32686518 0.81 SLC6A3 (0.41) HSD17B10KDM4EPKMALDH1A1L3MBTL1
SCHEMBL23294024 0.81 KDM4E (0.56) HSD17B10KDM4EALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 — — US disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 — — US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — 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-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L HSD17B10 4535/4885KDM4E 2242/4885PKM 4544/4885

“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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