SCHEMBL5010939

SCHEMBL5010939

COC(=O)Nc1cccc(-c2ccc3c(C)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
AGPAT2 O15120 4/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.39
CNR1 P21554 6/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRIK1 P39086 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
SCHEMBL5010265 0.92 ALDH1A1 (0.42) MCL1TP53MAPTALDH1A1NPC1
SCHEMBL3557513 0.91 MCL1 (0.48) MCL1TP53MAPTTHRBCNR1
SCHEMBL3558055 0.87 MCL1 (0.42) MCL1TP53MAPTTHRBCNR1
SCHEMBL3553767 0.87 BTK (0.43) MCL1THRBALDH1A1
SCHEMBL5010251 0.87 MCL1 (0.42) MCL1TP53MAPTTHRBCNR1
SCHEMBL3560389 0.86 MCL1 (0.52) MCL1MAPTTHRBALDH1A1NPC1
SCHEMBL3553532 0.85 MCL1 (0.43) MCL1MAPTTHRB
SCHEMBL5011218 0.84 MCL1 (0.41) MCL1TP53THRBALDH1A1TSHR
SCHEMBL3554326 0.84 KDM4E (0.47) MCL1TP53MAPTCNR1ALDH1A1
SCHEMBL3102308 0.84 MCL1 (0.50) MCL1MAPTTHRBCNR1NPC1

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-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 (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-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI MCL1 55/4885AGPAT2 3867/4885TP53 49/4885

“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.