Sugi Predict

Sugi Predict / Compounds / SCHEMBL3558995

SCHEMBL3558995

SCHEMBL3558995

CC(C)c1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(CC(N)=O)c3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ SHMT1 P34896 2/20 0.35
▸ SHMT2 P34897 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ AOC3 Q16853 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ MCL1 Q07820 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
SCHEMBL3559103 0.89 MCL1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2SIRT1
SCHEMBL5052311 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2SHMT1
SCHEMBL3559533 0.86 VSIR (0.37) SMN1; SMN2SHMT1SHMT2PPARD
SCHEMBL3105076 0.82 XDH (0.39) MCL1
SCHEMBL3559572 0.81 HSD17B1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13335836 0.80 HTR3E (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2SHMT1
SCHEMBL3099703 0.80 MCL1 (0.47) MEN1KMT2ASHMT1SHMT2CYP2C19
SCHEMBL3558074 0.80 HSD17B3 (0.41) SMN1; SMN2CYP2C19CYP3A4HPGDCYP1A2
SCHEMBL3088660 0.80 SHMT1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2SHMT1
SCHEMBL3109766 0.79 MCL1 (0.46) CYP2C19AOC3CYP1A2CYP2D6CYP2C9

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 ALDH1A1 328/4885MEN1 1160/4885KMT2A 2335/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 ALDH1A1 609/4885MEN1 1947/4885KMT2A 1762/4885

“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.