SCHEMBL19805499

SCHEMBL19805499

CCOC(=O)c1[nH]nc(-c2ccc(F)cc2)c1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALOX5 P09917 1/20 0.47
▸ MAPK14 Q16539 2/20 0.45
▸ GCGR P47871 1/20 0.45
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ HPGDS O60760 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GABRA2 P47869 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ PTGS2 P35354 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
SCHEMBL25171648 0.87 DUSP3 (0.56) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL5317300 0.86 HDAC6 (0.54) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL19544658 0.83 SCN9A (0.54) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL19544883 0.82 MAPT (0.44) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL19544721 0.80 KDM4E (0.41) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL19544299 0.79 HPGD (0.46) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL5317799 0.78 TRPM8 (0.49) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL19544607 0.78 MAPK10 (0.43) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL19544677 0.77 PTGS2 (0.48) KDM4EALDH1A1MAPTHPGDHPGDS
SCHEMBL19544627 0.77 MAPK10 (0.44) KDM4EALDH1A1NPC1MAPTRAB9A

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-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 — — US disclosed
WO-2018017633-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-25 — — 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 (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-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS TGFBR1, TGFBR2, TGFB1 KDM4E 2538/4885ALDH1A1 2564/4885NPC1 2446/4885

“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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