SCHEMBL3564020

SCHEMBL3564020

CCc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(NC(C)=O)c3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NQO2 P16083 1/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
AVPR1A P37288 1/20 0.39
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL3104926 0.90 NPC1 (0.44) HSD17B1HSD17B2MAPTL3MBTL1SMN1; SMN2
SCHEMBL5009603 0.87 HSD17B1 (0.45) HSD17B1HSD17B2MAPTL3MBTL1SMN1; SMN2
SCHEMBL3319313 0.86 HSD17B1 (0.44) HSD17B1HSD17B2MAPTL3MBTL1SMN1; SMN2
SCHEMBL3559572 0.85 HSD17B1 (0.43) HSD17B1HSD17B2MAPTL3MBTL1SMN1; SMN2
SCHEMBL3093882 0.84 HSD17B1 (0.43) HSD17B1HSD17B2MAPTL3MBTL1SMN1; SMN2
SCHEMBL3557513 0.83 MCL1 (0.48) MAPTSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL3100585 0.82 XDH (0.39) MAPT
SCHEMBL3561731 0.81 MAPK1 (0.49) HSD17B1HSD17B2SMN1; SMN2NQO2ALDH1A1
SCHEMBL3553616 0.81 MKNK1 (0.47) MAPTGAACYP11B1CYP11B2CNR1
SCHEMBL13335627 0.81 RAB9A (0.48) MAPTSMN1; SMN2HTTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders BAER PHAMACEUTICALS CORPORATION (US) 2006-08-31 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-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI HSD17B1 271/4885HSD17B2 278/4885MAPT 4163/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 HSD17B1 854/4885HSD17B2 703/4885MAPT 4197/4885

“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.