SCHEMBL18036271

SCHEMBL18036271

COc1ccc(-c2nc(C(=O)O)cc(=O)[nH]2)nc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 1/20 0.48
▸ PDE2A O00408 8/20 0.46
▸ PTGES O14684 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TNKS O95271 1/20 0.41
▸ MCL1 Q07820 2/20 0.41
▸ PTGER4 P35408 1/20 0.40
▸ ALPL P05186 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HIF1A Q16665 2/20 0.39

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
SCHEMBL18036035 0.84 PDE2A (0.51) PDE2APTGES
SCHEMBL18036112 0.82 SIRT6 (0.44) PDE2APTGESTDP1
SCHEMBL18035966 0.80 HIF1A (0.44) PDE2APTGESMCL1HIF1A
SCHEMBL18036014 0.79 RUNX1 (0.45) PDE2AALPL
SCHEMBL18036137 0.78 PDE2A (0.40) PDE2AKDM4EALDH1A1POLBGAA
SCHEMBL18036230 0.78 PDE2A (0.42) PDE2APTGESKDM4EALDH1A1POLB
SCHEMBL18036113 0.76 PDE2A (0.48) PDE2AKDM4ETDP1L3MBTL1HIF1A
SCHEMBL18036027 0.75 CBFB (0.44) CBFBKDM4EALDH1A1POLBGAA
SCHEMBL18036045 0.74 NPC1 (0.51) CBFBPDE2AKDM4EALDH1A1GAA
SCHEMBL18036079 0.71 CBFB (0.49) CBFBPDE2A

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-20160264536-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-15 — — US disclosed
EP-3061754-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-08-31 — — 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-20160264536-A1 HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A CBFB 3655/4885PDE2A 1/4885PTGES 606/4885

“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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