SCHEMBL26501683

SCHEMBL26501683

Cc1ccc(CC(=O)Cc2csc(C(C)C)c2)nn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RPS6KB2 Q9UBS0 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
SCHEMBL26501799 0.81 RAB9A (0.39) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL26501703 0.80 MAPT (0.39) ALDH1A1KDM4EGAAMAPTALOX12
SCHEMBL26501657 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL26501719 0.77 KDM4E (0.33) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL26501518 0.77 CNR2 (0.38) RAB9ASMN1; SMN2
SCHEMBL26501684 0.74 SLC40A1 (0.36) ALDH1A1GAAMAPTHPGDRAB9A
SCHEMBL26501515 0.73 PANK3 (0.43)
SCHEMBL26501678 0.73 PANK3 (0.42) P2RX3P2RX2SMN1; SMN2
SCHEMBL26501676 0.71 PANK3 (0.39) HPGDP2RX3P2RX2L3MBTL1
SCHEMBL5513865 0.71 RPS6KB2 (0.41) ALDH1A1KDM4EGAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 ALDH1A1 715/4885KDM4E 1116/4885GLA 419/4885

“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.