SCHEMBL25260412

SCHEMBL25260412

Cc1nc(-c2cc(C(=O)NCCC(=O)O)cc(C(F)(F)F)c2)no1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.43
HDAC6 Q9UBN7 7/20 0.43
HDAC1 Q13547 3/20 0.43
GCGR P47871 1/20 0.42
GIPR P48546 1/20 0.42
KIFC1 Q9BW19 5/20 0.42
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
S1PR1 P21453 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL30497205 1.00 HDAC4 (0.43) HDAC4HDAC6HDAC1GCGRGIPR
SCHEMBL25295021 0.83 FABP4 (0.50) GCGRGIPRKIFC1SIRT5
SCHEMBL30497244 0.83 FABP4 (0.50) GCGRGIPRKIFC1SIRT5
SCHEMBL30497176 0.81 RXRA (0.44) S1PR1
SCHEMBL25301433 0.81 RXRA (0.44) S1PR1
SCHEMBL25254573 0.80 KIFC1 (0.60) HDAC6HDAC1KIFC1S1PR1
SCHEMBL30497131 0.80 KIFC1 (0.60) HDAC6HDAC1KIFC1S1PR1
SCHEMBL1534290 0.78 RHOC (0.59) GCGRGIPRRHOCRHOARXFP1
SCHEMBL12959472 0.77 RHOC (0.50) GCGRGIPRRHOCRHOARXFP1
SCHEMBL25251606 0.76 KIFC1 (0.76) KIFC1

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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 US disclosed
WO-2023131690-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2023-07-13 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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS VHL, CDKN1A, CCNI HDAC4 465/4885HDAC6 494/4885HDAC1 119/4885

“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.