SCHEMBL4976463

SCHEMBL4976463

Nc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc3c(cc12)CCCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SRD5A2 P31213 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL4973761 0.98 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL14172747 0.91 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL14172625 0.88 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL14172714 0.87 HPGD (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL14172725 0.87 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL14172732 0.87 NPC1 (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL14172631 0.84 NPC1 (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL14172724 0.84 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL14172616 0.84 SMN1; SMN2 (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4973227 0.83 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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
US-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 US disclosed
US-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 US disclosed
US-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 US disclosed
US-20060287387-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-21 US disclosed
US-7144885-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-05 US disclosed
US-20050165042-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disoroders BAYER HEALTHCARE LLC 2005-07-28 US disclosed
EP-1478639-A1 FUSED TRICYCLIC HETEROCYCLES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2004-11-24 EP disclosed
WO-2003072566-A1 FUSED TRICYCLIC HETEROCYCLES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-09-04 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-20060287387-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders MKI67, CCNA2, CDK4 KDM4E 3497/4885ALDH1A1 973/4885HPGD 189/4885
US-20050165042-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disoroders MKI67, CCNI, PCNA KDM4E 3721/4885ALDH1A1 637/4885HPGD 298/4885

“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.