SCHEMBL10440089

SCHEMBL10440089

COc1ccc(CBr)cc1-c1cccc([NH+]([O-])O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.40
▸ HTR7 P34969 5/20 0.39
▸ PDE4B Q07343 5/20 0.39
▸ GABRA1 P14867 3/20 0.38
▸ GABRB2 P47870 3/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ CTSA P10619 3/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL13578413 0.83 PDE4D (0.44) PDE4DHTR7PDE4BGABRA1GABRB2
SCHEMBL13578415 0.83 PDE4D (0.44) PDE4DHTR7PDE4BGABRA1GABRB2
SCHEMBL13578408 0.83 PDE4D (0.47) PDE4DHTR7PDE4BCTSA
SCHEMBL13578409 0.81 CTSA (0.42) CNR2HDAC4HDAC2HDAC8CTSA
SCHEMBL13578418 0.81 PDE4D (0.41) PDE4DHTR7PDE4BGABRA1GABRB2
SCHEMBL13578414 0.81 HDAC4 (0.41) PDE4DHTR7PDE4BGABRA1GABRB2
SCHEMBL13578467 0.80 PDE4D (0.42) PDE4DHTR7PDE4BGABRA1GABRB2
SCHEMBL13578416 0.79 PDE4B (0.42) PDE4DHTR7PDE4BGABRA1GABRB2
SCHEMBL15906086 0.78 SMN1; SMN2 (0.45) PDE4DHTR7PDE4BGABRA1GABRB2
SCHEMBL30728864 0.78 PDE4B (0.56) PDE4DHTR7PDE4BGABRA1GABRB2

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-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 — — US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 — — US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 — — 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 (3 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885HTR7 2310/4885PDE4B 2/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885HTR7 3400/4885PDE4B 2/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885HTR7 2310/4885PDE4B 2/4885

“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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