Sugi Predict

Sugi Predict / Compounds / SCHEMBL353452

SCHEMBL353452

SCHEMBL353452

COc1cc2c(OC)c(-c3c(C)cc4c(C(=O)N(C5CCCC5)C5CCCC5)c(OC)c(OC)cc4c3OC)c(C)cc2c(C(N)=O)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ BCL2L1 Q07817 1/20 0.34
▸ S1PR3 Q99500 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ PARP15 Q460N3 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ HSD11B1 P28845 2/20 0.32
▸ TUBB4A P04350 2/20 0.32
▸ TUBB P07437 2/20 0.32
▸ TUBA3C P0DPH7 2/20 0.32
▸ TUBA1B P68363 2/20 0.32

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
SCHEMBL353665 0.86 BCL2 (0.37) MEN1KMT2ABCL2L1PDE1APDE1B
SCHEMBL355339 0.82 OXTR (0.37) GAAPDE1APDE1BPDE3BPDE1C
SCHEMBL354656 0.75 MEN1 (0.44) MEN1KMT2ATSHRTDP1L3MBTL1
SCHEMBL353909 0.72 MEN1 (0.43) MEN1KMT2ATDP1L3MBTL1CYP3A4
SCHEMBL354841 0.72 TAS1R3 (0.37) MEN1KMT2ATSHRPDE1APDE1B
SCHEMBL354989 0.72 BCL2L1 (0.60) BCL2L1
SCHEMBL355205 0.71 SMN1; SMN2 (0.40) MEN1KMT2ABCL2L1TSHRTDP1
SCHEMBL353822 0.71 BCL2 (0.40) MEN1KMT2ABCL2L1HTTTDP1
SCHEMBL2757193 0.68 MEN1 (0.43) MEN1KMT2ATDP1L3MBTL1CYP3A4
SCHEMBL353633 0.67 TDP1 (0.38) MEN1KMT2ATDP1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418942-B1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS SANFORD-BURNHAM MEDICAL RES INST (US) 2017-08-23 — — EP disclosed
US-8436207-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2013-05-07 — — US disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 — — US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 — — US disclosed
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-21 — — 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-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS HAX1, BAX, APOL1 MEN1 4843/4885KMT2A 4765/4885BCL2L1 20/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 MEN1 4790/4885KMT2A 4720/4885BCL2L1 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.