SCHEMBL26501799

SCHEMBL26501799

Cc1ccc(CC(=O)c2csc(C(C)C)c2)nn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 5/20 0.37
LMNA P02545 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
ALOX12 P18054 2/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 2/20 0.35
GAA P10253 2/20 0.33
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL26501683 0.81 ALDH1A1 (0.33) RAB9ASMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL26501703 0.79 MAPT (0.39) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL26501780 0.76 USP5 (0.47) RAB9ASMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL26501801 0.74 POLB (0.33) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL26501657 0.72 ALDH1A1 (0.36) ALDH1A1KDM4ELMNAMAPTALOX12
SCHEMBL26501796 0.72 HDAC1 (0.35) RAB9ASMN1; SMN2KDM4ENPC1P2RX3
SCHEMBL26501744 0.71 ALDH1A1 (0.32) ALDH1A1L3MBTL1KDM4ELMNAMAPT
SCHEMBL26501785 0.70 RAB9A (0.36) RAB9ASMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL26501786 0.70 RAB9A (0.36) RAB9ASMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL27809793 0.68 RAB9A (0.50) RAB9ASMN1; SMN2ALDH1A1L3MBTL1KDM4E

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 RAB9A 3971/4885SMN1; SMN2 1609/4885ALDH1A1 715/4885

“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.