SCHEMBL4973227

SCHEMBL4973227

Nc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc3c(cc12)C=CCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.35
MAPT P10636 4/20 0.34
HTT P42858 3/20 0.34
KMT2A Q03164 2/20 0.34
SRD5A2 P31213 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 2/20 0.33

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
SCHEMBL4976463 0.83 KDM4E (0.47) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL4973761 0.83 KDM4E (0.47) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL14172724 0.80 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL14172725 0.78 KDM4E (0.42) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL4970881 0.78 SMN1; SMN2 (0.52) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL4970840 0.76 NPC1 (0.49) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL14172714 0.76 HPGD (0.42) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL14172747 0.74 KDM4E (0.47) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL14172625 0.74 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL3319928 0.74 SMN1; SMN2 (0.46) ALDH1A1HPGDKDM4EHSD17B10SMN1; 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 ALDH1A1 973/4885HPGD 189/4885KDM4E 3497/4885
US-20050165042-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disoroders MKI67, CCNI, PCNA ALDH1A1 637/4885HPGD 298/4885KDM4E 3721/4885

“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.