SCHEMBL5231971

SCHEMBL5231971

Cn1c(=O)c2c3cc(OCCO)ccc3c3c(oc4cccnc4n3C(=O)Oc3ccccc3)c2c1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
KMT2A Q03164 3/20 0.34
AVPR1B P47901 7/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
NR4A2 P43354 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACSL1 P33121 2/20 0.33
ACSL6 Q9UKU0 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL5337031 0.81 ALDH1A1 (0.40) ALDH1A1HPGDKMT2AKDM4ESMN1; SMN2
SCHEMBL5229259 0.69 NR1H2 (0.43) ALDH1A1HPGDKMT2ASIGMAR1
SCHEMBL5340268 0.68 ALDH1A1 (0.54) ALDH1A1HPGDKMT2AKDM4ERAB9A
SCHEMBL5318072 0.64 MAOA (0.37) KMT2ARAB9ASMN1; SMN2PPARGLMNA
SCHEMBL5226141 0.63 SIGMAR1 (0.39) SIGMAR1
SCHEMBL11712411 0.58 ALDH1A1 (0.48) ALDH1A1HPGDKMT2AKDM4ENPC1
SCHEMBL10090415 0.57 LMNA (0.64) ALDH1A1HPGDKMT2AKDM4ENPC1
SCHEMBL11315303 0.57 CASR (0.50) ALDH1A1HPGDKMT2AKDM4ESMN1; SMN2
SCHEMBL7933564 0.57 SIGMAR1 (0.73) KMT2AKDM4ESMN1; SMN2LMNASIGMAR1
SCHEMBL12886696 0.57 ALDH1A1 (0.77) ALDH1A1HPGDKMT2AKDM4ENPC1

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-7312213-B2 Substituted benzo[e][1,4]oxazino[3,2-g]isoindole compounds LES LABORATORIES SERVIER (FR) 2007-12-25 US disclosed
EP-1556387-B1 SUBSTITUTED BENZOL E| 1,4| OXAZINO 3,2-G| ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-04-04 EP disclosed
US-20060003997-A1 Substituted benzo[e] [1,4] oxazino [3,2-g] isoindole compounds LES LABORATOIRES SERVIER (FR) 2006-01-05 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-20060003997-A1 Substituted benzo[e] [1,4] oxazino [3,2-g] isoindole compounds H1-3, H1-0, H1-2 ALDH1A1 161/4885HPGD 829/4885KMT2A 2620/4885

“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.