SCHEMBL4933040

SCHEMBL4933040

Oc1cc(O)c(-c2noc3ccccc23)cc1C=Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.44
ESR2 Q92731 7/20 0.44
HSP90AA1 P07900 3/20 0.43
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 8/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MAOA P21397 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL4933035 1.00 ESR1 (0.44) ESR1ESR2HSP90AA1HPGDRAB9A
SCHEMBL4932010 0.68 MAPT (0.48) ESR1ESR2HSP90AA1RAB9ASMN1; SMN2
SCHEMBL11408549 0.68 MAPT (0.70) HPGDSMN1; SMN2MAOBMAPTKMT2A
SCHEMBL11408547 0.68 MAPT (0.70) HPGDSMN1; SMN2MAOBMAPTKMT2A
SCHEMBL5992116 0.68 ESR1 (0.59) ESR1ESR2HSP90AA1HPGDRAB9A
SCHEMBL11648565 0.67 KMT2A (0.49) RAB9AMAOBMAPTKMT2AALDH1A1
SCHEMBL11648567 0.67 KMT2A (0.49) RAB9AMAOBMAPTKMT2AALDH1A1
SCHEMBL4933522 0.66 ESR1 (0.72) ESR1ESR2HSP90AA1
SCHEMBL11643922 0.65 CA12 (0.44) ESR1ESR2MAOBMAPTKMT2A
SCHEMBL11643917 0.65 CA12 (0.44) ESR1ESR2MAOBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US claimed
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 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-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer UGT2B7, UGT2B17, CYP4X1 ESR1 2306/4885ESR2 987/4885HSP90AA1 1416/4885

“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.