SCHEMBL26501780

SCHEMBL26501780

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.47
RAB9A P51151 6/20 0.46
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MPI P34949 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CYP2C9 P11712 2/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL26501795 0.87 RAB9A (0.35) USP5RAB9ALMNAPOLBNPC1
SCHEMBL26501786 0.87 RAB9A (0.36) USP5RAB9ALMNAPOLBNPC1
SCHEMBL26501785 0.87 RAB9A (0.36) USP5RAB9ALMNAPOLBNPC1
SCHEMBL26501789 0.86 TAAR1 (0.37) USP5RAB9ALMNAPOLBNPC1
SCHEMBL26501518 0.81 CNR2 (0.38) RAB9ALMNANPC1MEN1KMT2A
SCHEMBL26501796 0.80 HDAC1 (0.35) RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL26501783 0.79 NPC1 (0.51) RAB9ALMNANPC1ALDH1A1KDM4E
SCHEMBL26501545 0.78 SMN1; SMN2 (0.51) RAB9ALMNAPOLBNPC1ALDH1A1
SCHEMBL26501512 0.77 ESR1 (0.37) RAB9ALMNANPC1ALDH1A1KDM4E
SCHEMBL26501799 0.76 RAB9A (0.39) RAB9ALMNAPOLBNPC1ALDH1A1

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 USP5 2517/4885RAB9A 3971/4885LMNA 1621/4885

“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.