SCHEMBL24372545

SCHEMBL24372545

O=C(CS)OCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ENPP2 Q13822 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX1 P07099 1/20 0.43
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
ABCC4 O15439 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL24372729 0.92 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1MAPTMEN1
SCHEMBL24372533 0.91 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1MAPTMEN1
SCHEMBL24372552 0.83 LMNA (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL24372553 0.82 ENPP2 (0.38) ALDH1A1MAPK1L3MBTL1MAPTMEN1
SCHEMBL14063393 0.82 ALDH1A1 (0.64) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL14063398 0.82 ALDH1A1 (0.64) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL9581057 0.82 ALDH1A1 (0.64) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL24372731 0.81 MGLL (0.46) FFAR1
SCHEMBL24372550 0.81 CYP1A2 (0.53) ALDH1A1MAPK1L3MBTL1MAPTMEN1
SCHEMBL498454 0.81 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1KMT2ASMN1; SMN2

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-20220127286-A1 LIGANDS FOR NANO-SIZED MATERIALS MERCK PATENT GMBH (DE) 2022-04-28 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-20220127286-A1 LIGANDS FOR NANO-SIZED MATERIALS L1CAM, EPCAM, SELPLG ALDH1A1 3030/4885MAPK1 3818/4885L3MBTL1 3027/4885

“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.