Sugi Predict

Sugi Predict / Compounds / SCHEMBL354659

SCHEMBL354659

SCHEMBL354659

COc1cc2c(OC)c(-c3c(C)cc4c(C(=O)N(CC5CCCCC5)CC5CCCCC5)c(OC)c(OC)cc4c3OC)c(C)cc2c(C(N)=O)c1OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.38
▸ PARP15 Q460N3 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ OXTR P30559 2/20 0.35
▸ AVPR1A P37288 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ BCL2L1 Q07817 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ BCL2A1 Q16548 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PLA2G2A P14555 1/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRD1 P41143 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
SCHEMBL355339 0.95 OXTR (0.37) TDP1OXTRAVPR1ATP53GAA
SCHEMBL353452 0.84 MEN1 (0.37) TDP1PARP15PARP10KMT2ABCL2L1
SCHEMBL354656 0.78 MEN1 (0.44) TDP1KMT2ATP53ALDH1A1MEN1
SCHEMBL355460 0.77 LMNA (0.37) TDP1KMT2ABCL2BCL2L1MCL1
SCHEMBL353665 0.74 BCL2 (0.37) TDP1KMT2ABCL2BCL2L1MCL1
SCHEMBL355205 0.74 SMN1; SMN2 (0.40) TDP1KMT2ABCL2BCL2L1MCL1
SCHEMBL353822 0.74 BCL2 (0.40) TDP1KMT2ABCL2BCL2L1MCL1
SCHEMBL352976 0.73 BCL2L1 (0.59) BCL2BCL2L1MCL1BCL2A1
SCHEMBL353540 0.72 BCL2 (0.36) BCL2BCL2L1MCL1BCL2A1TP53
SCHEMBL353633 0.71 TDP1 (0.38) TDP1KMT2ASMN1; SMN2ALDH1A1MEN1

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 TDP1 2124/4885PARP15 2967/4885PARP10 1552/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 TDP1 2361/4885PARP15 3419/4885PARP10 1731/4885

“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.