SCHEMBL25730697

SCHEMBL25730697

O=CC(=O)c1ccc(-c2c[nH]c(C(F)(F)F)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C8 P10632 1/20 0.31
NPC1 O15118 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
CYP1A1 P04798 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL25729018 0.80 PTPN1 (0.34) ALDH1A1SMN1; SMN2HDAC4HDAC6KDM4E
SCHEMBL22122468 0.79 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2KDM4ELMNA
SCHEMBL23410559 0.75 KDM4E (0.44) ALDH1A1MAPK1SMN1; SMN2KDM4ELMNA
SCHEMBL7488038 0.74 PTGS2 (0.52)
SCHEMBL350985 0.71 APP (0.44)
SCHEMBL27548309 0.71 RAD51 (0.47) ALDH1A1TDP1L3MBTL1NPC1MEN1
SCHEMBL25730701 0.70 SCN9A (0.36) ALDH1A1MAPK1TDP1SMN1; SMN2HDAC4
SCHEMBL9080400 0.70 KDM4E (0.49) ALDH1A1MAPK1TDP1SMN1; SMN2KDM4E
SCHEMBL9050978 0.70 KIF11 (0.47) NPC1
SCHEMBL3096469 0.69 FFAR1 (0.42)

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-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 US disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 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-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 ALDH1A1 598/4885MAPK1 1040/4885TDP1 217/4885
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 ALDH1A1 598/4885MAPK1 1040/4885TDP1 217/4885

“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.