SCHEMBL3559533

SCHEMBL3559533

CC(=O)NCc1cccc(-c2ccc3c(C(C)C)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 1/20 0.37
TARS1 P26639 1/20 0.37
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
LIPG Q9Y5X9 2/20 0.36
SERPINE1 P05121 2/20 0.35
SHMT1 P34896 2/20 0.35
SHMT2 P34897 2/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDO1 P14902 1/20 0.34
PPARD Q03181 1/20 0.34
S1PR4 O95977 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL3563528 0.88 MCL1 (0.42) VSIRAURKAAURKBLIPGSERPINE1
SCHEMBL5010329 0.88 SMN1; SMN2 (0.40) VSIRTARS1AURKAAURKBLIPG
SCHEMBL3558995 0.86 ALDH1A1 (0.41) SHMT1SHMT2SMN1; SMN2PPARD
SCHEMBL3559572 0.85 HSD17B1 (0.43) TP53MAPTSMN1; SMN2
SCHEMBL3092625 0.84 NPC1 (0.43) VSIRAURKAAURKBLIPGSERPINE1
SCHEMBL3560339 0.82 MCL1 (0.46) SERPINE1SHMT1SHMT2TP53SMN1; SMN2
SCHEMBL14259221 0.81 SMN1; SMN2 (0.39) VSIRTARS1LIPGSERPINE1TP53
SCHEMBL3105076 0.80 XDH (0.39) MAPT
SCHEMBL3558074 0.80 HSD17B3 (0.41) SMN1; SMN2
SCHEMBL5011218 0.80 MCL1 (0.41) SERPINE1SHMT1SHMT2TP53SMN1; SMN2

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 VSIR 4822/4885TARS1 2669/4885AURKA 3520/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 VSIR 4696/4885TARS1 2977/4885AURKA 3326/4885

“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.