SCHEMBL3307027

SCHEMBL3307027

COC(=O)CN1Cc2ccccc2NC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.50
▸ CREBBP Q92793 1/20 0.50
▸ ITGB1 P05556 1/20 0.47
▸ ITGAV P06756 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PER2 O15055 2/20 0.43
▸ ACHE P22303 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ TNKS O95271 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ TNKS2 Q9H2K2 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
SCHEMBL30937764 1.00 BRD4 (0.50) BRD4CREBBPITGB1ITGAVKDM4E
SCHEMBL14374090 0.82 KDM4E (0.41) BRD4CREBBPKDM4ESMN1; SMN2ALDH1A1
SCHEMBL30937679 0.82 BRD4 (0.51) BRD4CREBBPITGB1ITGAVKDM4E
SCHEMBL30937531 0.81 PER2 (0.43) BRD4KDM4EALDH1A1PER2GAA
SCHEMBL30937744 0.79 ACE (0.52) KDM4ESMN1; SMN2ACEMMP13ALDH1A1
SCHEMBL27788786 0.77 BRD4 (0.50) BRD4CREBBPITGB1ITGAVKDM4E
SCHEMBL10668472 0.77 BRD4 (0.61) BRD4CREBBPITGB1ITGAVPER2
SCHEMBL30970866 0.77 BRD4 (0.61) BRD4CREBBPITGB1ITGAVPER2
SCHEMBL31192602 0.77 BRD4 (0.57) BRD4CREBBPKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13077879 0.77 BRD4 (0.57) BRD4CREBBPKDM4ESMN1; SMN2ALDH1A1

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-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 — — US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 — — US disclosed
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 — — US disclosed
EP-2132186-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS Novartis AG (CH) 2009-12-16 — — EP disclosed
WO-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 — — 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 (2 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-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 BRD4 213/4885CREBBP 1758/4885ITGB1 1217/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 BRD4 216/4885CREBBP 1627/4885ITGB1 1310/4885

“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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