SCHEMBL24372729

SCHEMBL24372729

O=C(CS)OCc1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 3/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTRB1 P17538 2/20 0.39
CDC25B P30305 1/20 0.39
LMNA P02545 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TSHR P16473 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL24372545 0.92 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL12751465 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL498454 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL11307628 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL24372556 0.82 LMNA (0.49) ALDH1A1MAPTKMT2ATDP1MEN1
SCHEMBL24372533 0.81 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL279356 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL159711 0.80 ALDH1A1 (0.70) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL14063388 0.80 ALDH1A1 (0.70) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL24373015 0.80 FFAR1 (0.45) ALDH1A1KMT2ATDP1MEN1POLB

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.