SCHEMBL24344602

SCHEMBL24344602

COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cccc(C(=O)N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SLC2A1 P11166 3/20 0.49
SLC2A4 P14672 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.48
LPAR1 Q92633 2/20 0.48
LPAR5 Q9H1C0 2/20 0.48
ACHE P22303 1/20 0.47
SLC2A8 Q9NY64 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL24343918 0.92 KMT2A (0.52) ALDH1A1NPSR1TDP1TSHRMEN1
SCHEMBL3890233 0.90 ALDH1A1 (0.52) ALDH1A1NPSR1TDP1TSHRMEN1
SCHEMBL24344606 0.85 SLC2A1 (0.56) TSHRSLC2A1SLC2A4POLBLPAR1
SCHEMBL6820180 0.84 TDP1 (0.56) ALDH1A1NPSR1TDP1TSHRMEN1
SCHEMBL24343905 0.82 SLC2A1 (0.51) ALDH1A1NPSR1TSHRMEN1KMT2A
SCHEMBL24343347 0.80 CYP1A2 (0.46) ALDH1A1NPSR1TDP1TSHRMEN1
SCHEMBL9416611 0.79 TSPO (0.58) ALDH1A1NPSR1TDP1TSHRMEN1
SCHEMBL24343904 0.78 TDP1 (0.52) ALDH1A1NPSR1TDP1TSHRMEN1
SCHEMBL24344654 0.77 CYP1A2 (0.43) ALDH1A1NPSR1TDP1TSHRMEN1
SCHEMBL3484433 0.77 TDP1 (0.60) ALDH1A1NPSR1TDP1TSHRMEN1

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-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2022-04-21 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-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME ICOS, CD47, CD274 ALDH1A1 398/4885NPSR1 1263/4885TDP1 3886/4885

“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.