SCHEMBL3351038

SCHEMBL3351038

O=[N+]([O-])c1cc(Cl)c(OCc2ccccc2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.49
POLB P06746 1/20 0.48
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 4/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43

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
SCHEMBL13308320 0.95 PIN1 (0.49) PIN1POLBCTSVCTSLMRGPRX4
SCHEMBL29894219 0.87 POLB (0.54) PIN1POLBCTSVCTSLMRGPRX4
SCHEMBL9005400 0.87 CTSV (0.53) PIN1POLBCTSVCTSLMEN1
SCHEMBL18863826 0.87 POLB (0.54) PIN1POLBCTSVCTSLMRGPRX4
SCHEMBL2568216 0.85 PIN1 (0.52) PIN1POLBCTSVCTSLMRGPRX4
SCHEMBL3351980 0.84 PTGES (0.54) PIN1POLBCTSVCTSLMRGPRX4
SCHEMBL1193049 0.84 PIN1 (0.49) PIN1POLBCTSVCTSLMRGPRX4
SCHEMBL6811038 0.83 HTR1A (0.51) PIN1POLBCTSVCTSLMEN1
SCHEMBL31738283 0.83 CTSV (0.58) POLBCTSVCTSLCYP19A1
SCHEMBL810879 0.81 PTGES (0.54) PIN1POLBCTSVCTSLMRGPRX4

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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 PIN1 1465/4885POLB 3780/4885CTSV 2212/4885

“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.