SCHEMBL3353833

SCHEMBL3353833

O=C(O)C1Oc2ccc(Cl)cc2NC1=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
USP2 O75604 2/20 0.39
GAA P10253 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
SCHEMBL3355386 0.80 HSD17B10 (0.51) HSD17B10TP53POLBSMN1; SMN2ALDH1A1
SCHEMBL20704071 0.78 HSD17B10 (0.49) HSD17B10TP53POLBSMN1; SMN2ALDH1A1
SCHEMBL1398633 0.78 PARP1 (0.57) HSD17B10TP53ALDH1A1TSHRUSP2
SCHEMBL29495518 0.78 PARP1 (0.57) HSD17B10TP53ALDH1A1TSHRUSP2
SCHEMBL5670852 0.76 PARP1 (0.60) HSD17B10TP53POLBSMN1; SMN2ALDH1A1
SCHEMBL5987560 0.76 HSD17B10 (0.46) HSD17B10TP53POLBSMN1; SMN2ALDH1A1
SCHEMBL3342685 0.75 RET (0.48) HSD17B10TP53POLBSMN1; SMN2ALDH1A1
SCHEMBL3788010 0.75 CMA1 (0.58)
SCHEMBL4968241 0.75 CA2 (0.53) HSD17B10TP53POLBSMN1; SMN2ALDH1A1
SCHEMBL7468675 0.74 L3MBTL1 (0.63) HSD17B10TP53POLBSMN1; SMN2ALDH1A1

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-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
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 HSD17B10 2068/4885TP53 4556/4885POLB 3780/4885

“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.