SCHEMBL26501796

SCHEMBL26501796

Cc1ccc(CC(=O)c2ccc(C(C)C)nc2)nn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
P2RX3 P56373 3/20 0.33
P2RX2 Q9UBL9 3/20 0.33
PANK3 Q9H999 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 4/20 0.32
HRH3 Q9Y5N1 2/20 0.32
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCAR3 P49019 2/20 0.31
HCAR2 Q8TDS4 1/20 0.31
GSK3B P49841 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
SCHEMBL26501780 0.80 USP5 (0.47) KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL26501678 0.80 PANK3 (0.42) P2RX3P2RX2PANK3SMN1; SMN2
SCHEMBL26501700 0.78 PTPN1 (0.40) HDAC1HDAC6KDM4ERAB9ANPC1
SCHEMBL26815007 0.75 MAPT (0.42) KDM4ERAB9ANPC1SMN1; SMN2HCAR3
SCHEMBL26501795 0.74 RAB9A (0.35) P2RX3P2RX2PANK3RAB9ANPC1
SCHEMBL26501785 0.73 RAB9A (0.36) KDM4ERAB9ANPC1SMN1; SMN2GSK3B
SCHEMBL26501786 0.73 RAB9A (0.36) KDM4ERAB9ANPC1SMN1; SMN2GSK3B
SCHEMBL26501789 0.73 TAAR1 (0.37) P2RX3P2RX2RAB9ANPC1SMN1; SMN2
SCHEMBL11176498 0.72 KCNJ1 (0.44) RAB9AHRH3SMN1; SMN2HCAR3HCAR2
SCHEMBL26501783 0.71 NPC1 (0.51) HDAC1KDM4ERAB9ANPC1SMN1; SMN2

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 HDAC1 991/4885HDAC6 921/4885P2RX3 4831/4885

“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.