SCHEMBL2239592

SCHEMBL2239592

COC(=O)c1cc([N+](=O)[O-])c(OC2(C(=O)OC)CC2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ FGFR3 P22607 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ SIRT6 Q8N6T7 1/20 0.38
▸ ALDH1A1 P00352 8/20 0.37
▸ HPGD P15428 4/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ VCAM1 P19320 1/20 0.36
▸ PKM P14618 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ LMNA P02545 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 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
SCHEMBL12354360 0.90 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL26768026 0.88 CHEK1 (0.42) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL26767710 0.87 PDGFRB (0.39) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2248576 0.84 PDGFRB (0.37) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31750473 0.81 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1VCAM1TDP1
SCHEMBL3931073 0.81 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1VCAM1TDP1
SCHEMBL14993998 0.80 PDGFRB (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL20693046 0.79 KMT2A (0.37) ALDH1A1PKMTDP1LMNAMAPT
SCHEMBL1721029 0.77 PDGFRB (0.68) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL25358104 0.77 MAPT (0.37) ALDH1A1PKMLMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-11-16 — — US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 — — US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 — — US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 — — US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 — — US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 — — EP disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 — — 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 (2 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 PDGFRB 616/4885FGFR1 194/4885PDGFRA 962/4885
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF CYP3A7, UGT2B7, SFPQ PDGFRB 4134/4885FGFR1 2666/4885PDGFRA 4400/4885

“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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