SCHEMBL25932802

SCHEMBL25932802

CCCNC(=O)C1CCN(C(=O)CNN)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
GNAI3 P08754 2/20 0.45
GNAO1 P09471 2/20 0.45
GNAI1 P63096 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
NAAA Q02083 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
YAP1 P46937 1/20 0.41
TEAD4 Q15561 1/20 0.41
TSHR P16473 2/20 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
SCHEMBL18330358 0.87 HSD17B10 (0.48) HSD17B10KDM4EHPGDGNAI3GNAO1
SCHEMBL18330475 0.85 HSD17B10 (0.47) HSD17B10KDM4EHPGDGNAI3GNAO1
SCHEMBL25934441 0.85 GNAI3 (0.50) HSD17B10KDM4EHPGDGNAI3GNAO1
SCHEMBL15337881 0.83 HSD17B10 (0.50) HSD17B10KDM4EHPGDGNAI3GNAO1
SCHEMBL18330357 0.79 MAPT (0.50) HSD17B10KDM4EHPGDGNAI3GNAO1
SCHEMBL15337884 0.79 HSD17B10 (0.50) HSD17B10KDM4EHPGDGNAI3GNAO1
SCHEMBL18330407 0.78 TSHR (0.51) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL25934569 0.78 GNAI3 (0.58) GNAI3GNAO1GNAI1GAANAAA
SCHEMBL25931610 0.77 HSD17B10 (0.49) HSD17B10KDM4EHPGDGNAI3GNAO1
SCHEMBL2746619 0.77 HSD17B10 (0.47) HSD17B10KDM4EHPGDGNAI3GNAO1

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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 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-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS HSD17B10 3787/4885KDM4E 3032/4885HPGD 1795/4885

“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.