SCHEMBL26505461

SCHEMBL26505461

O=C1NCCc2c1cc(Cl)c(C(=O)OCc1cc(Cl)cc(CBr)c1)c2Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ F7 P08709 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ F3 P13726 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP12 P39900 1/20 0.31

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
SCHEMBL10129830 0.75 PARP10 (0.36) F7PARP1F3PARP10
SCHEMBL30279445 0.75 PARP10 (0.36) F7PARP1F3PARP10
SCHEMBL23978990 0.67 PARP10 (0.36) MRGPRX4F7PARP1F3PARP10
SCHEMBL10129821 0.65 ACHE (0.50) F7PARP1F3PARP10
SCHEMBL30402278 0.65 ACHE (0.50) F7PARP1F3PARP10
SCHEMBL23978726 0.62 PARP1 (0.41) F7PARP1F3PARP10
SCHEMBL30401909 0.62 PARP1 (0.41) F7PARP1F3PARP10
SCHEMBL24886285 0.61 PARP10 (0.56) F7PARP1F3PARP10
SCHEMBL14842620 0.60 ACHE (0.54) F7PARP1F3PARP10
SCHEMBL14844702 0.59 NCOA1 (0.41) F7PARP1F3PARP10

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 MRGPRX4 1817/4885F7 2457/4885PARP1 1110/4885

“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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