SCHEMBL3318040

SCHEMBL3318040

NC(=O)c1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
HTT P42858 1/20 0.41
CHEK2 O96017 1/20 0.41
MAPT P10636 3/20 0.40
PARP1 P09874 1/20 0.40
KMT2A Q03164 1/20 0.40
NR4A2 P43354 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ERN1 O75460 2/20 0.36
ADORA2A P29274 1/20 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
SCHEMBL13689390 0.91 NPC1 (0.44) NPC1SMN1; SMN2RAB9APOLBHPGD
SCHEMBL13335687 0.90 NPC1 (0.46) NPC1SMN1; SMN2RAB9APOLBHPGD
SCHEMBL5010404 0.90 MAPT (0.43) NPC1SMN1; SMN2RAB9APOLBHPGD
SCHEMBL3102693 0.89 MCL1 (0.46) NPC1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL3319197 0.88 NPC1 (0.44) NPC1SMN1; SMN2RAB9APOLBHPGD
SCHEMBL5008147 0.88 NPC1 (0.42) NPC1SMN1; SMN2RAB9APOLBHPGD
SCHEMBL3315156 0.88 NPC1 (0.49) NPC1SMN1; SMN2RAB9APOLBHPGD
SCHEMBL13335757 0.87 SMN1; SMN2 (0.44) NPC1SMN1; SMN2RAB9APOLBHPGD
SCHEMBL5010421 0.87 MAP4K4 (0.43) NPC1SMN1; SMN2RAB9APOLBHPGD
SCHEMBL3319345 0.86 F10 (0.41) NPC1SMN1; SMN2RAB9APOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 US disclosed
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 US disclosed
US-7585888-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-7585888-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-7585888-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-02-26 US disclosed
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-02-26 US disclosed
US-7351735-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 US disclosed
US-7351735-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 US disclosed
US-7351735-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 US disclosed
WO-2008025509-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-06 WO disclosed
EP-1487813-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORP (US) 2006-08-30 EP disclosed
US-20050139814-A1 Benzofuran and benzothiophene derivatives useful in the treatmint of hyper-proliferative disorders BAYER HEALTHCARE LLC 2005-06-30 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-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BCOR, BRDT, TPMT NPC1 2027/4885SMN1; SMN2 335/4885RAB9A 4760/4885
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ETV6, MKI67, PAH NPC1 2181/4885SMN1; SMN2 3025/4885RAB9A 4363/4885

“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.