SCHEMBL25847358

SCHEMBL25847358

CC(C)c1ccnc(C(=O)NSS)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 1/20 0.43
KDM4C Q9H3R0 1/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
BRAF P15056 5/20 0.35
RECQL P46063 1/20 0.34
RAF1 P04049 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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 0.81 BRAF (0.47) CBLBKDM4CNPC1RAB9APOLB
SCHEMBL25820328 0.80 KDM4C (0.50) CBLBKDM4CNPC1RAB9ARECQL
SCHEMBL25692506 0.78 SMYD3 (0.55) NPC1RAB9ASMN1; SMN2SMYD3
SCHEMBL25982936 0.77 PARP1 (0.43) CBLBKDM4CNPC1RAB9APOLB
SCHEMBL23015733 0.76 RAB9A (0.47) CBLBKDM4CNPC1RAB9ABRAF
SCHEMBL6169475 0.75 ALDH1A1 (0.47) CBLBKDM4CNPC1RAB9APOLB
SCHEMBL101547 0.75 KDM4E (0.55) CBLBKDM4CNPC1RAB9ASMN1; SMN2
SCHEMBL13058657 0.75 SMN1; SMN2 (0.58) CBLBNPC1RAB9APOLBPKM
SCHEMBL12017654 0.75 ROCK2 (0.50) CBLBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL179291 0.74 ALDH1A1 (0.48) CBLBKDM4CNPC1RAB9APOLB

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 CBLB 3851/4885KDM4C 4573/4885NPC1 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.