SCHEMBL25825170

SCHEMBL25825170

CCSC(C)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
ALDH1A1 P00352 3/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
MAPK1 P28482 1/20 0.38
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PARP1 P09874 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL775466 0.78 AOC3 (0.41) IDO1TDO2CA12CA1CA2
SCHEMBL1935120 0.78 CPN1 (0.40) MAOAALDH1A1CA1CA2CA9
SCHEMBL19939826 0.76 ALDH1A1 (0.41) MAOAALDH1A1IDO1TDO2MAPK1
SCHEMBL12128404 0.76 KMT2A (0.44) SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL2758515 0.75 HDAC4 (0.53) MAOAALDH1A1IDO1TDO2MAPK1
SCHEMBL22349750 0.74 EPHX1 (0.49) IDO1TDO2MAPTSLC6A4
SCHEMBL135394 0.73 ALDH1A1 (0.48) MAOAALDH1A1IDO1TDO2MAPK1
SCHEMBL29427056 0.73 ALDH1A1 (0.48) MAOAALDH1A1IDO1TDO2MAPK1
SCHEMBL18426652 0.72 ALDH1A1 (0.43) MAOAALDH1A1IDO1TDO2MAPK1
SCHEMBL15721667 0.72 PARP1 (0.42) MAOAALDH1A1IDO1TDO2MAPK1

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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 MAOA 3064/4885ALDH1A1 1303/4885IDO1 65/4885

“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.