SCHEMBL25254573

SCHEMBL25254573

Cc1nc(-c2cccc(C(=O)NCCC(=O)O)c2)no1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 8/20 0.60
S1PR1 P21453 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
DRD3 P35462 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
PLK1 P53350 1/20 0.46
MAPK14 Q16539 1/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL30497131 1.00 KIFC1 (0.60) KIFC1S1PR1L3MBTL1DRD3HDAC1
SCHEMBL30497188 0.89 KIFC1 (0.59) KIFC1S1PR1L3MBTL1DRD3PLK1
SCHEMBL25249127 0.89 KIFC1 (0.59) KIFC1S1PR1L3MBTL1DRD3PLK1
SCHEMBL25253854 0.88 KIFC1 (0.61) KIFC1S1PR1L3MBTL1DRD3MAPT
SCHEMBL30497171 0.88 KIFC1 (0.61) KIFC1S1PR1L3MBTL1DRD3MAPT
SCHEMBL2227112 0.83 HDAC4 (0.60) HDAC1HDAC6
SCHEMBL8820950 0.83 S1PR1 (0.54) KIFC1S1PR1L3MBTL1HDAC1HDAC6
SCHEMBL25295021 0.82 FABP4 (0.50) KIFC1PLK1MAPK14
SCHEMBL30497244 0.82 FABP4 (0.50) KIFC1PLK1MAPK14
SCHEMBL30497248 0.81 KIFC1 (0.66) KIFC1L3MBTL1DRD3MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4577537-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2025-07-02 EP disclosed
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-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 WO disclosed
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 WO 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 KIFC1 3173/4885S1PR1 1941/4885L3MBTL1 2054/4885

“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.