SCHEMBL1348058

SCHEMBL1348058

Brc1ccccc1-c1nnc(Nc2ccccc2)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
KDM4E B2RXH2 2/20 0.64
GSK3B P49841 5/20 0.63
NPC1 O15118 5/20 0.55
TP53 P04637 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL30385974 1.00 RAB9A (0.64) RAB9AKDM4EGSK3BNPC1TP53
SCHEMBL1344940 0.88 TSHR (0.56) RAB9AKDM4EGSK3BNPC1TP53
SCHEMBL1346856 0.84 FLT1 (0.55) RAB9AKDM4EGSK3BNPC1TP53
SCHEMBL1346482 0.81 KDR (0.58) RAB9AKDM4EGSK3BNPC1MAPT
SCHEMBL1346964 0.81 FLT1 (0.58) RAB9AKDM4EGSK3BNPC1SMN1; SMN2
SCHEMBL28612954 0.81 RAB9A (0.64) RAB9AKDM4EGSK3BNPC1TP53
SCHEMBL28185933 0.78 RAB9A (0.75) RAB9ANPC1TP53SMN1; SMN2MAPK1
SCHEMBL455366 0.78 GSK3B (1.00) RAB9AKDM4EGSK3BNPC1TP53
SCHEMBL27785894 0.76 RAB9A (0.50) RAB9AKDM4ENPC1TP53SMN1; SMN2
SCHEMBL1346549 0.76 GSK3B (0.56) RAB9AKDM4EGSK3BNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103224493-A Novel oxadiazole derivatives and thiadiazole derivatives having neovascularization inhibitory activity SANTEN PHARMACEUTICAL CO LTD 2013-07-31 CN disclosed
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-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
US-20100016354-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
CN-101600712-A Novel oxadiazole derivative and thiadiazole derivative having angiogenesis inhibitory activity SANTEN PHARMACEUTICAL CO LTD (JP) 2009-12-09 CN disclosed
EP-2128156-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2009-12-02 EP disclosed
EP-2128156-A1 NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2009-12-02 EP 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 RAB9A 2350/4885KDM4E 3062/4885GSK3B 1285/4885

“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.