SCHEMBL12133305

SCHEMBL12133305

O=C(NNC(=O)c1ccccc1OCc1ccnc2ccccc12)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 9/20 0.51
▸ AKR1C3 P42330 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ FAAH O00519 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PPIA P62937 1/20 0.44
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL13604318 0.89 MEN1 (0.45) SGMS2AKR1C3MEN1KMT2AKDM4E
SCHEMBL1346778 0.82 MEN1 (0.50) SGMS2AKR1C3MEN1KMT2AALDH1A1
SCHEMBL9582484 0.81 ALDH1A1 (0.57) SGMS2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL30935917 0.81 ALDH1A1 (0.57) SGMS2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1346671 0.79 SGMS2 (0.66) SGMS2MEN1KMT2ASMN1; SMN2GAA
SCHEMBL1347000 0.79 ALDH1A1 (0.47) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1347417 0.77 KMT2A (0.48) SGMS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL1348067 0.74 MEN1 (0.56) SGMS2AKR1C3MEN1KMT2AALDH1A1
SCHEMBL1347578 0.72 KDR (0.55) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1347270 0.71 PPIA (0.58) SGMS2AKR1C3MEN1KMT2ASMN1; SMN2

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-8063034-B2 Oxadiazole derivatives and thiadiazole derivatives having neovascularization inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 — — US disclosed
US-8063034-B2 Oxadiazole derivatives and thiadiazole derivatives having neovascularization inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 — — US disclosed
US-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 — — US disclosed
US-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 — — 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-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY FLT4, VEGFA, FLT1 SGMS2 4860/4885AKR1C3 769/4885MEN1 4661/4885

“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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