SCHEMBL3553412

SCHEMBL3553412

COc1cccc(-c2ccc3c(C#N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 2/20 0.42
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
PTPN1 P18031 1/20 0.39
MAOB P27338 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
HSD17B3 P37058 1/20 0.39
CNR1 P21554 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CNR2 P34972 1/20 0.39
CASP7 P55210 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL3102760 0.87 MAPT (0.39) MAPTRAB9ATP53FLT1FLT4
SCHEMBL3554326 0.86 KDM4E (0.47) MAPTRAB9ATP53FLT1FLT4
SCHEMBL3098574 0.86 XDH (0.42) MAPTRAB9APTPN1GRIA2GRIA4
SCHEMBL13335678 0.85 MAPT (0.45) MAPTRAB9ATP53FLT1FLT4
SCHEMBL3096801 0.85 MAPT (0.44) MAPTRAB9ATP53FLT1FLT4
SCHEMBL3097670 0.82 GABRP (0.42) MAPTRAB9AFLT1FLT4KDR
SCHEMBL3100744 0.78 MCL1 (0.46) MAPTMAOBHSD17B3
SCHEMBL3100004 0.76 MAPT (0.47) MAPTRAB9ATP53FLT1FLT4
SCHEMBL3317797 0.76 XDH (0.41) MAPTRAB9AHSD17B3CNR1SMN1; SMN2
SCHEMBL13335689 0.76 PPARG (0.51) MAPTRAB9ATP53SMN1; SMN2ALDH1A1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 MAPT 4197/4885RAB9A 4187/4885TP53 37/4885

“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.