SCHEMBL4014047

SCHEMBL4014047

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA9 Q16790 3/20 0.55
CA4 P22748 1/20 0.55
CA7 P43166 1/20 0.55
CA12 O43570 2/20 0.53
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
ACKR3 P25106 2/20 0.44
SPR P35270 1/20 0.43
ESRRA P11474 1/20 0.42
PFKFB3 Q16875 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4009591 0.81 MAOA (0.43) CA1CA2CA9CA4CA12
SCHEMBL2041625 0.81 CA1 (0.57) CA1CA2CA9CA4CA7
SCHEMBL16245852 0.80 NPC1 (0.59) CA1CA2CA9CA4CA7
SCHEMBL12442707 0.80 NPC1 (0.59) CA1CA2CA9CA4CA7
SCHEMBL72211 0.79 ALDH1A1 (0.63) CA1CA2CA9CA4CA7
SCHEMBL2194020 0.79 SMN1; SMN2 (0.55) CA1CA2CA9CA4CA7
SCHEMBL16103071 0.77 CA1 (0.53) CA1CA2CA9CA4CA7
SCHEMBL14150662 0.75 RXRA (0.51) CA1CA2CA9CA4CA7
SCHEMBL29181795 0.75 CYP1A2 (0.43) ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL6769727 0.73 KDM4E (0.62) CA1CA2CA9CA4CA7

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 CA1 4756/4885CA2 4619/4885CA9 4575/4885

“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.