SCHEMBL31428901

SCHEMBL31428901

CC1CN(C(=O)c2ccc3nc(C=O)ccc3c2)CC(C)O1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
HPGD P15428 3/20 0.52
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 5/20 0.48
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
GLA P06280 1/20 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
SCHEMBL31429008 0.84 HSD17B10 (0.58) HSD17B10HPGDNPC1ALDH1A1NPSR1
SCHEMBL31428758 0.79 PKM (0.50) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL31428679 0.78 HSD17B10 (0.60) HSD17B10HPGDNPC1ALDH1A1NPSR1
SCHEMBL31428628 0.77 HSD17B10 (0.52) HSD17B10HPGDNPC1ALDH1A1NPSR1
SCHEMBL31428499 0.76 L3MBTL3 (0.45) HPGDL3MBTL1
SCHEMBL31428690 0.76 SCN9A (0.44) HPGDNPC1ALDH1A1L3MBTL1MEN1
SCHEMBL31428689 0.76 SCN9A (0.44) HPGDNPC1ALDH1A1L3MBTL1MEN1
SCHEMBL31428939 0.74 HSD17B10 (0.52) HSD17B10HPGDNPC1ALDH1A1NPSR1
SCHEMBL31428541 0.74 L3MBTL3 (0.57) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL24975816 0.74 HPGD (0.49) HPGDNPC1RAB9ANAMPT

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.