SCHEMBL20809682

SCHEMBL20809682

O=C(Nc1ccc2c(c1)C/C(=C\c1ccc(C(=O)O)cc1)C2=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.49
MAOA P21397 5/20 0.49
PTPN1 P18031 1/20 0.48
ACHE P22303 3/20 0.47
BCHE P06276 2/20 0.47
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
MGLL Q99685 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
SCHEMBL20809745 0.88 MGLL (0.54) MAOBMAOAPTPN1ACHEBCHE
SCHEMBL20809835 0.83 MGLL (0.50) MAOBMAOAPTPN1NPC1ALDH1A1
SCHEMBL20809517 0.81 MAOB (0.46) MAOBMAOAMAPT
SCHEMBL6996603 0.76 MAOB (0.61) MAOBMAOAACHENPC1TP53
SCHEMBL6996599 0.76 MAOB (0.61) MAOBMAOAACHENPC1TP53
SCHEMBL8338982 0.76 SLC1A3 (0.61) MAOAPTPN1NPC1ALDH1A1TP53
SCHEMBL20809839 0.75 MAOA (0.79) MAOBMAOAMIF
SCHEMBL3694153 0.75 POLB (0.68) MAOBMAOANPC1ALDH1A1TP53
SCHEMBL7703579 0.74 MAOA (0.62) MAOBMAOANPC1ALDH1A1MAPT
SCHEMBL6997465 0.74 MAOA (0.62) MAOBMAOANPC1ALDH1A1MAPT

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-11091421-B2 Benzene fused heterocyclic derivative and pharmaceutical composition comprising the same TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2021-08-17 US disclosed
US-20200190010-A1 BENZENE FUSED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2020-06-18 US disclosed
WO-2019051222-A1 BENZENE FUSED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2019-03-14 WO 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-11091421-B2 Benzene fused heterocyclic derivative and pharmaceutical composition comprising the same RORB, RORC, NR3C1 MAOB 394/4885MAOA 959/4885PTPN1 419/4885
US-20200190010-A1 BENZENE FUSED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME RORB, RORC, NR3C1 MAOB 394/4885MAOA 959/4885PTPN1 419/4885

“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.