SCHEMBL26501795

SCHEMBL26501795

Cc1ccc(CC(=O)c2ccc(C(C)CO)cc2)nn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.35
USP5 P45974 1/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.33
PANK3 Q9H999 1/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ABCB11 O95342 1/20 0.31
HTR1A P08908 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
SCHEMBL26501789 0.88 TAAR1 (0.37) RAB9AUSP5NPC1SMN1; SMN2POLB
SCHEMBL26501780 0.87 USP5 (0.47) RAB9AUSP5NPC1SMN1; SMN2POLB
SCHEMBL26501785 0.83 RAB9A (0.36) RAB9AUSP5NPC1SMN1; SMN2POLB
SCHEMBL26501786 0.83 RAB9A (0.36) RAB9AUSP5NPC1SMN1; SMN2POLB
SCHEMBL26501676 0.82 PANK3 (0.39) PANK3ACHEP2RX3P2RX2L3MBTL1
SCHEMBL26501699 0.80 TSHR (0.44) RAB9ANPC1SMN1; SMN2POLBLMNA
SCHEMBL26501783 0.75 NPC1 (0.51) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL26501655 0.75 DHFR (0.35) PANK3LMNAESR1ESR2ABCB11
SCHEMBL26501796 0.74 HDAC1 (0.35) RAB9ANPC1SMN1; SMN2PANK3P2RX3
SCHEMBL26501740 0.74 ALDH1A1 (0.35) LMNAL3MBTL1ESR1ESR2ABCB11

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 3971/4885USP5 2517/4885NPC1 189/4885

“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.