SCHEMBL3098574

SCHEMBL3098574

N#Cc1cccc(-c2ccc3c(C#N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.42
SLC22A12 Q96S37 2/20 0.42
HSD17B3 P37058 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PGR P06401 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
MAPT P10636 1/20 0.37
P2RX1 P51575 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN9 P43378 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL3317797 0.89 XDH (0.41) XDHSLC22A12HSD17B3PTGDR2PGR
SCHEMBL3100744 0.89 MCL1 (0.46) XDHSLC22A12HSD17B3TAS1R3TAS1R1
SCHEMBL3102760 0.89 MAPT (0.39) TAS1R3TAS1R1TAS1R2MAPTESR1
SCHEMBL3093073 0.88 XDH (0.46) XDHSLC22A12HSD17B3PTGDR2PGR
SCHEMBL3553412 0.86 MAPT (0.42) HSD17B3MAPTPTPN1MEN1RAB9A
SCHEMBL3105076 0.86 XDH (0.39) XDHSLC22A12HSD17B3PTGDR2PGR
SCHEMBL3100585 0.86 XDH (0.39) XDHSLC22A12HSD17B3PTGDR2PGR
SCHEMBL3097670 0.85 GABRP (0.42) TAS1R3TAS1R1TAS1R2MAPTP2RX1
SCHEMBL3320298 0.85 KDM4E (0.43) XDHSLC22A12HSD17B3TAS1R3TAS1R1
SCHEMBL13335722 0.79 XDH (0.40) XDHSLC22A12PGRPLGPLAU

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-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 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
EP-1654245-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-05-10 EP disclosed
WO-2005014566-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-17 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 (3 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 XDH 329/4885SLC22A12 3241/4885HSD17B3 1071/4885
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI XDH 160/4885SLC22A12 2151/4885HSD17B3 572/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 XDH 329/4885SLC22A12 3241/4885HSD17B3 1071/4885

“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.