SCHEMBL31428628

SCHEMBL31428628

CC1CN(C(=O)c2ccc3nc(C=O)sc3c2)CC(C)O1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
HPGD P15428 5/20 0.50
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LIPG Q9Y5X9 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL31428939 0.91 HSD17B10 (0.52) HSD17B10HPGDNPC1ALDH1A1NPSR1
SCHEMBL31428750 0.85 HPGD (0.65) HSD17B10HPGDNPC1ALDH1A1NPSR1
SCHEMBL31428953 0.80 HPGD (0.63) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL31429012 0.79 HSD17B10 (0.41) HSD17B10HPGDNPC1ALDH1A1NPSR1
SCHEMBL31428525 0.79 HSD17B10 (0.41) HSD17B10HPGDNPC1ALDH1A1NPSR1
SCHEMBL31428901 0.77 HSD17B10 (0.54) HSD17B10HPGDNPC1ALDH1A1NPSR1
SCHEMBL31429074 0.75 NPC1 (0.57) HSD17B10HPGDNPC1ALDH1A1NPSR1
SCHEMBL25114177 0.73 SMN1; SMN2 (0.59) HSD17B10HPGDNPC1ALDH1A1NPSR1
SCHEMBL31429008 0.72 HSD17B10 (0.58) HSD17B10HPGDNPC1ALDH1A1NPSR1
SCHEMBL31428679 0.71 HSD17B10 (0.60) HSD17B10HPGDNPC1ALDH1A1NPSR1

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS HSD17B10 4107/4885HPGD 4233/4885NPC1 3237/4885

“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.