SCHEMBL4970840

SCHEMBL4970840

Nc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc3ccccc3cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 2/20 0.49
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
MAPT P10636 6/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
CASP1 P29466 2/20 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
SCHEMBL3315156 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL4970881 0.81 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL4976463 0.81 KDM4E (0.47) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL4973761 0.81 KDM4E (0.47) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL3319928 0.80 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL3320525 0.80 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL13335687 0.80 NPC1 (0.46) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL13335663 0.80 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL13335682 0.79 NPC1 (0.46) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL7214882 0.78 MAOB (0.47) NPC1RAB9A

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-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

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 NPC1 1589/4885RAB9A 2416/4885SMN1; SMN2 3112/4885
US-20050165042-A1 Fused tricyclic heterocycles useful for treating hyper-proliferative disoroders MKI67, CCNI, PCNA NPC1 1110/4885RAB9A 2032/4885SMN1; SMN2 3790/4885

“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.