SCHEMBL31428487

SCHEMBL31428487

O=C(c1cncs1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.44
HTR2C P28335 1/20 0.44
PHGDH O43175 1/20 0.44
PKM P14618 3/20 0.43
MAPT P10636 2/20 0.43
HSP90AA1 P07900 1/20 0.43
PLAUR Q03405 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PIK3CD O00329 1/20 0.43

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
SCHEMBL11100629 0.86 GAA (0.51) HPGDALDH1A1PKMMAPTHSP90AA1
SCHEMBL14887797 0.84 ALDH1A1 (0.53) HPGDALDH1A1PKMMAPTHSP90AA1
SCHEMBL27490431 0.81 ALDH1A1 (0.43) HPGDALDH1A1PKMMAPTHSP90AA1
SCHEMBL30194846 0.80 PIK3CD (0.50) L3MBTL1ALDH1A1HTR2CPKMMAPT
Ethylene SCHEMBL8377729 0.79 ALDH1A1 (0.41) HPGDALDH1A1PKMMAPTHSP90AA1
SCHEMBL15921792 0.77 HPGD (0.60) HPGDL3MBTL1SMN1; SMN2ALDH1A1HTR2C
SCHEMBL28478515 0.76 ALDH1A1 (0.45) L3MBTL1ALDH1A1PKMMAPTHSP90AA1
SCHEMBL19029825 0.76 PIK3CD (0.40) ALDH1A1PKMMAPTHSP90AA1PIK3CD
SCHEMBL20301969 0.75 HPGD (0.57) HPGDL3MBTL1SMN1; SMN2ALDH1A1HTR2C
SCHEMBL31738591 0.75 PIK3CD (0.48) SMN1; SMN2ALDH1A1PKMMAPTHSP90AA1

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 HPGD 4233/4885L3MBTL1 1560/4885SMN1; SMN2 4832/4885

“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.