SCHEMBL3599440

SCHEMBL3599440

O=C(O)[C@@H](Cc1cnc[nH]1)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 1/20 0.57
▸ ITGB2 P05107 3/20 0.56
▸ ICAM1 P05362 3/20 0.56
▸ ITGAL P20701 3/20 0.56
▸ GGT1 P19440 1/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.53
▸ CYP3A4 P08684 2/20 0.51
▸ SLC7A5 Q01650 1/20 0.51
▸ HRH4 Q9H3N8 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ CPA1 P15085 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ REN P00797 1/20 0.49

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
SCHEMBL5907039 1.00 AGTR2 (0.57) AGTR2ITGB2ICAM1ITGALGGT1
SCHEMBL2059180 0.87 SIRT2 (0.52) AGTR2ITGB2ICAM1ITGALTAAR1
SCHEMBL1667212 0.87 ALDH1A1 (0.54) ITGB2ICAM1ITGALTAAR1CYP3A4
SCHEMBL8250332 0.85 AGTR2 (0.61) AGTR2ITGB2ICAM1ITGALTAAR1
SCHEMBL5869520 0.85 AGTR2 (0.61) AGTR2ITGB2ICAM1ITGALTAAR1
SCHEMBL6239445 0.85 ITGB2 (0.52) AGTR2ITGB2ICAM1ITGALGGT1
SCHEMBL9554563 0.84 GGT1 (0.55) AGTR2ITGB2ICAM1ITGALGGT1
SCHEMBL9829801 0.82 AGTR2 (0.60) AGTR2ITGB2ICAM1ITGALHIF1A
SCHEMBL11208664 0.81 ITGB2 (0.58) AGTR2ITGB2ICAM1ITGALTAAR1
SCHEMBL7383006 0.81 ITGB2 (0.53) AGTR2ITGB2ICAM1ITGALGGT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 — — US disclosed
US-20060217316-A1 Method for the treatment of prostate cancer GENIX THERAPEUTICS, INC. 2006-09-28 — — US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 — — US disclosed
WO-2004087190-A1 METHOD FOR THE TREATMENT OF PROSTATE CANCER GENIX THERAPEUTICS INC. (US) 2004-10-14 — — WO 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 AGTR2 104/4885ITGB2 1213/4885ICAM1 4017/4885

“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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