SCHEMBL30402278

SCHEMBL30402278

O=C1NCCc2c1cc(Cl)c(O)c2Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.50
▸ PARP1 P09874 9/20 0.46
▸ PARP10 Q53GL7 10/20 0.42
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ PARP11 Q9NR21 8/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MPI P34949 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PTK2B Q14289 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
SCHEMBL10129821 1.00 ACHE (0.50) ACHEPARP1PARP10F7F3
SCHEMBL14842620 0.87 ACHE (0.54) ACHEPARP1PARP10F7F3
SCHEMBL23978726 0.76 PARP1 (0.41) ACHEPARP1PARP10F7F3
SCHEMBL30401909 0.76 PARP1 (0.41) ACHEPARP1PARP10F7F3
SCHEMBL30279445 0.75 PARP10 (0.36) ACHEPARP1PARP10F7F3
SCHEMBL10129830 0.75 PARP10 (0.36) ACHEPARP1PARP10F7F3
SCHEMBL23978990 0.74 PARP10 (0.36) ACHEPARP1PARP10F7F3
SCHEMBL1759917 0.74 NOTUM (0.56) ACHEPARP1PARP10F7F3
SCHEMBL31156948 0.72 MAOA (0.43) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL10750209 0.72 MAOA (0.43) HTTMEN1KMT2AKDM4EALDH1A1

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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 — — 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 ACHE 1352/4885PARP1 1110/4885PARP10 1523/4885

“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.

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