SCHEMBL405705

SCHEMBL405705

O=C(O)c1ccn(-c2cccc(O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 8/20 0.58
TUBB P07437 8/20 0.58
TUBA3C P0DPH7 8/20 0.58
TUBA1B P68363 8/20 0.58
TUBA4A P68366 8/20 0.58
TUBB4B P68371 8/20 0.58
TUBB3 Q13509 8/20 0.58
TUBB2A Q13885 8/20 0.58
TUBB8 Q3ZCM7 8/20 0.58
TUBA3E Q6PEY2 8/20 0.58
TUBA1A Q71U36 8/20 0.58
TUBA1C Q9BQE3 8/20 0.58
TUBB6 Q9BUF5 8/20 0.58
TUBB2B Q9BVA1 8/20 0.58
TUBB1 Q9H4B7 8/20 0.58
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL406415 0.93 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Silver SCHEMBL407955 0.91 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL408988 0.85 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2336592 0.82 COMT (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15166929 0.82 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27592386 0.82 COMT (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27911610 0.80 COMT (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27915267 0.78 LMNA (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL406416 0.75 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7510493 0.74 ALKBH2 (0.71) CA12CA1CA2CA6CA9

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-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-10-04 US disclosed
EP-2408743-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP disclosed
WO-2010105930-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-23 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-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ACHE, CHRNA10, CHRNA5 TUBB4A 1838/4885TUBB 1285/4885TUBA3C 726/4885

“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.