SCHEMBL3047792

SCHEMBL3047792

COc1ccc(-c2c(-c3ccccc3)oc3ccnc(Cl)c23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
UBE2N P61088 1/20 0.55
TEK Q02763 4/20 0.47
KDR P35968 3/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
HIF1A Q16665 2/20 0.45
KMT2A Q03164 2/20 0.45
PPARG P37231 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
GSK3B P49841 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
THRB P10828 1/20 0.44
TNK2 Q07912 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL6748429 0.81 KDM4E (0.63) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL2975999 0.81 KDM4E (0.74) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL1785974 0.81 KDM4E (0.74) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL13087434 0.76 KDM4E (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL1786166 0.75 TEK (0.71) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL3049906 0.75 KDM4E (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL3053705 0.74 CHEK1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL3056291 0.72 KMT2A (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL3049945 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N
SCHEMBL13271833 0.72 KDM4E (0.76) ALDH1A1KDM4EHPGDSMN1; SMN2UBE2N

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
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
EP-2167482-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
WO-2008155017-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
WO-2008155017-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 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-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 ALDH1A1 1360/4885KDM4E 3917/4885HPGD 467/4885

“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.