SCHEMBL26499707

SCHEMBL26499707

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
CASP7 P55210 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 2/20 0.54
BLM P54132 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
RGS12 O14924 1/20 0.54
CYP3A4 P08684 1/20 0.54
CASP1 P29466 1/20 0.54
GNAI1 P63096 1/20 0.54
HIF1A Q16665 1/20 0.54
DHFR P00374 4/20 0.39
NOS1 P29475 7/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL26499414 0.88 CASP7 (0.57) MAPTCASP7HSD17B10KDM4EBLM
SCHEMBL9152033 0.81 CASP7 (0.52) MAPTCASP7HSD17B10KDM4EBLM
SCHEMBL26499714 0.79 MAPT (0.56) MAPTCASP7HSD17B10KDM4EBLM
SCHEMBL230712 0.78 CASP7 (0.54) MAPTCASP7HSD17B10KDM4EBLM
SCHEMBL26500536 0.77 CASP7 (0.51) MAPTCASP7HSD17B10KDM4EBLM
SCHEMBL7362054 0.73 CASP7 (0.58) MAPTCASP7HSD17B10KDM4EBLM
SCHEMBL25433714 0.73 CASP7 (0.49) MAPTCASP7HSD17B10KDM4EBLM
SCHEMBL19734024 0.71 CASP7 (0.83) MAPTCASP7HSD17B10KDM4EBLM
SCHEMBL21009255 0.71 HSD17B10 (0.63) MAPTCASP7HSD17B10KDM4EBLM
SCHEMBL31026287 0.71 HSD17B10 (0.63) MAPTCASP7HSD17B10KDM4EBLM

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 MAPT 4436/4885CASP7 3180/4885HSD17B10 261/4885

“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.