SCHEMBL4965192

SCHEMBL4965192

COCCOc1cc2ncn(Cc3ccccc3)c(=O)c2cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ GRK2 P25098 4/20 0.49
▸ GRK1 Q15835 2/20 0.47
▸ GRK5 P34947 1/20 0.47
▸ MMP13 P45452 8/20 0.47
▸ SCD O00767 1/20 0.44
▸ SLC2A1 P11166 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1227184 0.89 HDAC6 (0.60) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5435592 0.88 GRK2 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4967353 0.85 HDAC6 (0.55) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4531658 0.82 GRK2 (0.60) GRK2GRK1GRK5MMP13SCD
SCHEMBL4594235 0.81 HDAC6 (0.68) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13090428 0.80 GRK2 (0.55) GRK2GRK1GRK5MMP13SCD
SCHEMBL3066031 0.79 HDAC6 (0.60) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5124722 0.79 HDAC6 (0.62) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL14489722 0.77 SLC2A1 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL14489716 0.76 SLC2A1 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966189-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 — — EP disclosed
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — WO disclosed
WO-2007068552-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — WO disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 — — US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 — — US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 — — US 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-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same BPHL, CYP11B2, CYP11B1 HDAC6 2090/4885HDAC3 2498/4885HDAC4 2910/4885

“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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