SCHEMBL26499414

SCHEMBL26499414

CC(C)CC1=Nc2c(nc(N)[nH]c2=O)NC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.57
HSD17B10 Q99714 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
BLM P54132 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
RGS12 O14924 1/20 0.57
LMNA P02545 1/20 0.57
CYP3A4 P08684 1/20 0.57
CASP1 P29466 1/20 0.57
GNAI1 P63096 1/20 0.57
HIF1A Q16665 1/20 0.57
NOS1 P29475 7/20 0.40
USP2 O75604 1/20 0.40
DHFR P00374 5/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL26499707 0.88 MAPT (0.54) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL9152033 0.82 CASP7 (0.52) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL230712 0.81 CASP7 (0.54) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL26500536 0.81 CASP7 (0.51) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL26499714 0.77 MAPT (0.56) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL7362054 0.76 CASP7 (0.58) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL25433714 0.76 CASP7 (0.49) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL19734024 0.74 CASP7 (0.83) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL21009255 0.74 HSD17B10 (0.63) CASP7HSD17B10KDM4EMAPTBLM
SCHEMBL31026287 0.74 HSD17B10 (0.63) CASP7HSD17B10KDM4EMAPTBLM

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-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME WASHINGTON UNIVERSITY (US) 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-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME DHFR, DHPS, MTHFD1 CASP7 3180/4885HSD17B10 261/4885KDM4E 2117/4885

“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.