SCHEMBL6282881

SCHEMBL6282881

O=C1c2ccccc2C(=O)N1Cc1ccc(C2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ ADRA1D P25100 2/20 0.48
▸ ADRA1A P35348 2/20 0.48
▸ ADRA1B P35368 2/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ACHE P22303 1/20 0.44

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
SCHEMBL5838169 0.77 ALDH1A1 (0.52) CASP3ALDH1A1CA12CA1CA2
SCHEMBL11167209 0.75 CASP3 (0.67) CASP3CA12CA1CA2CA9
SCHEMBL30472950 0.74 CASP3 (0.85) CASP3ALDH1A1CA12CA1CA2
SCHEMBL326305 0.74 CASP3 (0.85) CASP3ALDH1A1CA12CA1CA2
SCHEMBL9053599 0.73 CASP3 (0.65) CASP3ALDH1A1CA12CA1CA2
SCHEMBL29820192 0.73 CASP3 (0.65) CASP3CA12CA1CA2CA9
SCHEMBL8737445 0.73 CASP3 (0.65) CASP3CA12CA1CA2CA9
SCHEMBL18668950 0.73 CES2 (0.67) CASP3ALDH1A1CA12CA1CA2
SCHEMBL28846592 0.73 ALDH1A1 (0.54) ALDH1A1PKMTSHRKMT2AHTT
SCHEMBL8222390 0.72 ADRA1D (0.64) CASP3ALDH1A1CA12CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 — — US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 — — US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 — — EP 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM CASP3 4126/4885ALDH1A1 2470/4885CA12 3146/4885

“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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