SCHEMBL25301433

SCHEMBL25301433

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PLK1 P53350 1/20 0.43
TP53 P04637 1/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL30497176 1.00 RXRA (0.44) RXRARXRBRXRGL3MBTL1MEN1
SCHEMBL4781992 0.87 RXRB (0.46) RXRARXRBRXRGL3MBTL1HPGD
SCHEMBL14752302 0.81 L3MBTL1 (0.46) L3MBTL1HPGDPLK1CA12CA1
SCHEMBL30497205 0.81 HDAC4 (0.43) S1PR1
SCHEMBL25260412 0.81 HDAC4 (0.43) S1PR1
SCHEMBL25301459 0.81 TPMT (0.50) RXRARXRBL3MBTL1MAPTHPGD
SCHEMBL31362829 0.81 TPMT (0.50) RXRARXRBL3MBTL1MAPTHPGD
SCHEMBL25301375 0.78 L3MBTL1 (0.50) RXRARXRBL3MBTL1HPGDPLK1
SCHEMBL30497207 0.78 L3MBTL1 (0.50) RXRARXRBL3MBTL1HPGDPLK1
SCHEMBL14752316 0.76 RAB9A (0.47) RXRAL3MBTL1MEN1KMT2AMAPT

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 3 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
EP-4463444-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2024-11-20 EP 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 RXRA 3738/4885RXRB 3460/4885RXRG 3431/4885

“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.