SCHEMBL26501704

SCHEMBL26501704

Cc1ccc(CC(=O)Nc2nc(C(C)C)cs2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C9 P11712 3/20 0.45
GRM1 Q13255 1/20 0.45
POLB P06746 4/20 0.44
SLC12A2 P55011 1/20 0.44
SLC12A5 Q9H2X9 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL26501801 0.79 POLB (0.33) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL26501684 0.78 SLC40A1 (0.36) RAB9ACYP1A2CYP2D6CYP2C9GRM1
SCHEMBL10084285 0.77 ELOVL1 (0.64) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL26501703 0.76 MAPT (0.39) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL5477855 0.76 SMN1; SMN2 (0.52) CYP1A2CYP2D6CYP2C9GRM1SLC12A2
SCHEMBL26501700 0.74 PTPN1 (0.40) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL26501545 0.73 SMN1; SMN2 (0.51) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL12597453 0.72 CYP1A2 (0.48) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL12190585 0.71 L3MBTL1 (0.57) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL26501659 0.70 SLC40A1 (0.34) RAB9APOLBMEN1KMT2AALDH1A1

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 3971/4885NPC1 189/4885CYP1A2 1311/4885

“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.