SCHEMBL25792773

SCHEMBL25792773

COc1cc(C(C)(C)C)cc(Cl)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
MAP3K14 Q99558 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL10212113 0.85 TP53 (0.39) MAP3K14ALDH1A1LMNAMAPTHPGD
SCHEMBL13166875 0.80 GABRB2 (0.42) CYP2C19GAAALDH1A1LMNAMAPT
SCHEMBL7833966 0.80 ALDH1A1 (0.45) CYP2C19GAANPC1ALDH1A1LMNA
SCHEMBL26778024 0.79 POLB (0.41) MAP3K14ALDH1A1LMNAMAPTHPGD
SCHEMBL30455185 0.76 HPGD (0.46) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL1425172 0.76 HPGD (0.46) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL19504309 0.76 FGFR2 (0.33) LMNAHPGDRAB9ATP53CYP3A4
SCHEMBL25791646 0.74 NPC1 (0.38) GAANPC1MAP3K14ALDH1A1POLB
SCHEMBL14083411 0.74 ACLY (0.37) GAAALDH1A1MAPTACLY
SCHEMBL13945812 0.74 POLB (0.44) CYP2C19LMNATP53GABRA1GABRB2

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-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 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 (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-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, USP8, USP7 CYP2C19 3619/4885GAA 1306/4885NPC1 2328/4885

“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.