SCHEMBL30947604

SCHEMBL30947604

COc1ccc(C(C)(C)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PKM P14618 1/20 0.38
AHR P35869 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NFE2L2 Q16236 3/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDK2 Q15119 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36

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
SCHEMBL929327 0.86 TRPV4 (0.52) CA12CA1CA2CA7CA9
SCHEMBL1511036 0.85 HSD11B1 (0.41) HSD11B1CA12CA1CA2CA7
SCHEMBL31130640 0.84 TRPV4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL10220768 0.83 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL25227094 0.82 CA12 (0.37) HSD11B1CA12CA1CA2CA7
SCHEMBL21133848 0.80 SCN10A (0.39) CA12CA1CA2CA7CA9
SCHEMBL17966038 0.80 PDE10A (0.40) HSD11B1CA12CA1CA2CA7
Formaldehyde SCHEMBL28302295 0.78 PKM (0.41) HSD11B1CA12CA1CA2CA7
SCHEMBL18481687 0.77 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL30628274 0.77 MRGPRX4 (0.40) HSD11B1CA1CA2PKMAHR

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-12441725-B2 ISO-citrate dehydrogenase (IDH) inhibitor ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2025-10-14 US disclosed
US-20240116917-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2024-04-11 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 (2 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-20240116917-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR IDH2, IDH3A, IDH1 HSD11B1 155/4885CA12 1458/4885CA1 882/4885
US-12441725-B2 ISO-citrate dehydrogenase (IDH) inhibitor IDH2, IDH3A, IDH1 HSD11B1 155/4885CA12 1458/4885CA1 882/4885

“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.