SCHEMBL4009591

SCHEMBL4009591

O=C(O)c1cn(-c2ccc(C3OCCO3)cc2)nn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ACKR3 P25106 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ESRRA P11474 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA4 P22748 1/20 0.40
CA12 O43570 1/20 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
SCHEMBL4014047 0.81 CA1 (0.55) ACKR3NPC1RAB9AESRRACA1
SCHEMBL31166241 0.79 P2RY14 (0.48) NPC1RAB9A
SCHEMBL27166388 0.78 KCNH2 (0.45)
SCHEMBL27877288 0.77 ESRRA (0.57) MAOAMAOBESRRACA1CA2
SCHEMBL69876 0.76 ESRRA (0.62) MAOANPC1ESRRACA1CA2
SCHEMBL2330243 0.75 CA1 (0.57) MAOAMAOBNPC1RAB9AESRRA
SCHEMBL11902351 0.75 CA1 (0.57) NPC1RAB9AESRRACA1CA2
SCHEMBL3477570 0.75 CA1 (0.57) ACKR3ESRRACA1CA2CA9
SCHEMBL28801446 0.75 ESRRA (0.60) MAOANPC1ESRRACA1CA2
SCHEMBL25123042 0.74 ALKBH2 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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 (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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 MAOA 4066/4885MAOB 3826/4885ACKR3 1407/4885

“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.