SCHEMBL26501657

SCHEMBL26501657

Cc1ccc(CCc2csc(C(C)C)c2)nn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
ALOX12 P18054 1/20 0.36
LMNA P02545 1/20 0.32
POLB P06746 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
SCHEMBL26501719 0.80 KDM4E (0.33) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL26501683 0.80 ALDH1A1 (0.33) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL26501659 0.73 SLC40A1 (0.34) ALDH1A1KDM4EGAAPOLB
SCHEMBL26501648 0.73 DHFR (0.47) ALDH1A1HPGDKDM4ELMNA
SCHEMBL26501744 0.72 ALDH1A1 (0.32) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL26501799 0.72 RAB9A (0.39) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL26501770 0.71 KDM4E (0.31) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL26501656 0.69 MEN1 (0.40) GAALMNA
SCHEMBL27420741 0.69 LMNA (0.40) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL12394773 0.69 ALDH1A1 (0.35) ALDH1A1MAPTHPGDKDM4EGAA

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 715/4885MAPT 1819/4885HPGD 509/4885

“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.