SCHEMBL25820328

SCHEMBL25820328

CC(C)NC(=O)c1cc(C(C)C)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.50
ANO1 Q5XXA6 2/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
PARP1 P09874 1/20 0.44
TSHR P16473 1/20 0.44
CHRM2 P08172 1/20 0.43
GRM5 P41594 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
FDPS P14324 1/20 0.43
CBLB Q13191 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.41
RAF1 P04049 1/20 0.41
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL10263164 0.85 BRAF (0.47) KDM4CNPC1RAB9APARP1TSHR
SCHEMBL8486170 0.81 CTSA (0.54) KDM4CANO1NPC1RAB9APARP1
SCHEMBL179291 0.81 ALDH1A1 (0.48) KDM4CNPC1RAB9APARP1CBLB
SCHEMBL161556 0.81 KDM4C (0.51) KDM4CANO1NPC1RAB9APARP1
SCHEMBL25982936 0.81 PARP1 (0.43) KDM4CNPC1RAB9APARP1CBLB
SCHEMBL178048 0.80 KDM4C (0.75) KDM4CANO1NPC1RAB9APARP1
SCHEMBL23015733 0.80 RAB9A (0.47) KDM4CNPC1RAB9ACBLBSMN1; SMN2
SCHEMBL25847358 0.80 CBLB (0.43) KDM4CNPC1RAB9ACBLBSMN1; SMN2
SCHEMBL25692508 0.79 HPGD (0.46) NPC1RAB9ACBLBSMN1; SMN2ALDH1A1
SCHEMBL6169475 0.79 ALDH1A1 (0.47) KDM4CNPC1RAB9ACBLBSMN1; 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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA KDM4C 4573/4885ANO1 3495/4885NPC1 901/4885

“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.