SCHEMBL26501693

SCHEMBL26501693

Cc1ccc(CC(=O)Nc2ccc(C(C)(C)C)cc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NLRP3 Q96P20 1/20 0.44
NR1H4 Q96RI1 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
KIF11 P52732 1/20 0.43
RET P07949 1/20 0.42
LMNA P02545 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL26501545 0.81 SMN1; SMN2 (0.51) MAPTNLRP3SMN1; SMN2NPC1RAB9A
SCHEMBL26501696 0.80 SMN1; SMN2 (0.39) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL26501695 0.80 SMN1; SMN2 (0.40) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL26501783 0.78 NPC1 (0.51) MAPTKDM4ENPSR1NR1H4SMN1; SMN2
SCHEMBL26501697 0.78 RORC (0.41) MAPTKDM4ENPSR1SMN1; SMN2NPC1
SCHEMBL26501699 0.77 TSHR (0.44) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL26501667 0.77 NR1H4 (0.40) MAPTNLRP3NR1H4SMN1; SMN2NPC1
SCHEMBL26501698 0.76 TSHR (0.43) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL26501700 0.74 PTPN1 (0.40) MAPTKDM4EPKMSMN1; SMN2NPC1
SCHEMBL27395185 0.74 POLB (0.36) MAPTKDM4ESMN1; SMN2NPC1RAB9A

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 MAPT 1819/4885KDM4E 1116/4885PKM 349/4885

“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.