SCHEMBL30163504

SCHEMBL30163504

CC(=O)N1/C(=C/c2nc3cc(C(=O)N4CCOCC4)ccc3s2)C(=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLAUR Q03405 1/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL30163476 1.00 HPGD (0.45) HPGDPDCD1CD274ALDH1A1TSHR
SCHEMBL30163519 0.93 HPGD (0.46) HPGDPDCD1CD274ALDH1A1TSHR
SCHEMBL30163515 0.93 HPGD (0.46) HPGDPDCD1CD274ALDH1A1TSHR
SCHEMBL31428566 0.87 HSD17B10 (0.41) HPGDALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL30163506 0.87 HSD17B10 (0.41) HPGDALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL31428852 0.85 RAB9A (0.42) HPGDALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL30163490 0.85 RAB9A (0.42) HPGDALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL31429006 0.83 HPGD (0.47) HPGDPDCD1CD274ALDH1A1SMN1; SMN2
SCHEMBL31428538 0.81 HPGD (0.46) HPGDPDCD1CD274ALDH1A1SMN1; SMN2
SCHEMBL30163522 0.80 RAB9A (0.42) HPGDALDH1A1SMN1; SMN2MAPTHTT

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 2 patents. 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
WO-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO 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 HPGD 4233/4885PDCD1 1360/4885CD274 1903/4885

“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.