Sugi Predict

Sugi Predict / Compounds / SCHEMBL4581632

SCHEMBL4581632

SCHEMBL4581632

COc1cc(Cc2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 1/20 0.44
▸ HSP90AA1 P07900 6/20 0.43
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 1/20 0.43
▸ TUBA3E Q6PEY2 1/20 0.43
▸ TUBA1A Q71U36 1/20 0.43
▸ TUBA1C Q9BQE3 1/20 0.43
▸ TUBB6 Q9BUF5 1/20 0.43
▸ TUBB2B Q9BVA1 1/20 0.43
▸ TUBB1 Q9H4B7 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4579544 0.94 HSP90AA1 (0.42) HSP90B1HSP90AA1HSP90AB1
SCHEMBL4580864 0.93 HSP90B1 (0.41) HSP90B1HSP90AA1HSP90AB1
SCHEMBL4580905 0.92 ROCK2 (0.45) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4582130 0.89 TUBB4A (0.42) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4581684 0.84 HSP90AA1 (0.53) HSP90AA1KDM4EALDH1A1
SCHEMBL4582836 0.82 MAPK9 (0.48) HSP90AA1MAPK10HSP90AB1
SCHEMBL4580235 0.81 HSP90AA1 (0.42) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4581687 0.79 HSP90AA1 (0.48) HSP90B1HSP90AA1HSP90AB1
SCHEMBL4579921 0.78 HSP90AA1 (0.56) HSP90AA1KDM4EALDH1A1
SCHEMBL4581221 0.76 HSP90AA1 (0.56) HSP90AA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 — — US claimed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 — — WO claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 — — US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 — — US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 — — US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 — — WO disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 — — WO 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 HSP90B1 3260/4885HSP90AA1 3426/4885TUBB4A 1130/4885

“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.