SCHEMBL5953472

SCHEMBL5953472

O=C(O)c1n[nH]c2c1CN(C(=O)O)CC2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 1/20 0.54
CREBBP Q92793 4/20 0.44
EP300 Q09472 3/20 0.44
BRD4 O60885 2/20 0.44
MAPK1 P28482 1/20 0.42

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
SCHEMBL13374012 0.88 CREBBP (0.57) HCAR2KMT2ATSHRCREBBPEP300
SCHEMBL22029695 0.83 CREBBP (0.42) HCAR2KMT2ATSHRCREBBPEP300
SCHEMBL17785675 0.81 CREBBP (0.47) HCAR2KMT2ATSHRCREBBPEP300
SCHEMBL17785865 0.81 CREBBP (0.44) HCAR2KMT2ATSHRCREBBPEP300
SCHEMBL20818349 0.81 CREBBP (0.44) HCAR2KMT2ATSHRCREBBPEP300
SCHEMBL4761723 0.81 CREBBP (0.47) CREBBPEP300BRD4MAPK1
SCHEMBL30128141 0.81 CYP2C19 (0.60) HCAR2KMT2ATSHR
SCHEMBL4870401 0.81 NPC1 (0.55) CREBBPEP300BRD4
SCHEMBL4792110 0.81 ADORA1 (0.46) HCAR2KMT2ATSHRCREBBPEP300
SCHEMBL18586765 0.78 CREBBP (0.45) CREBBPEP300BRD4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036230-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 EP disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 HCAR2 3535/4885KMT2A 1678/4885TSHR 3828/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A HCAR2 3979/4885KMT2A 1844/4885TSHR 4027/4885

“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.