SCHEMBL6934114

SCHEMBL6934114

COc1cccc(-c2cc(C(=O)Cl)ccc2OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.58
▸ HSP90AB1 P08238 2/20 0.58
▸ SYK P43405 1/20 0.55
▸ HDAC4 P56524 2/20 0.53
▸ HDAC8 Q9BY41 2/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ LMNA P02545 2/20 0.47
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2E1 P05181 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C8 P10632 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP4B1 P13584 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46
▸ CYP3A5 P20815 1/20 0.46
▸ CYP2A7 P20853 1/20 0.46
▸ CYP3A7 P24462 1/20 0.46

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
SCHEMBL16712938 0.89 SYK (0.51) HSP90AA1HSP90AB1SYKHDAC4HDAC8
SCHEMBL16712928 0.89 HSP90AA1 (0.49) HSP90AA1HSP90AB1SYKHDAC4HDAC8
SCHEMBL15225947 0.88 HSP90AA1 (0.58) HSP90AA1HSP90AB1SYKHDAC4HDAC8
SCHEMBL29651459 0.87 LMNA (0.62) HSP90AA1HSP90AB1SYKHDAC4HDAC8
SCHEMBL1607173 0.87 LMNA (0.62) HSP90AA1HSP90AB1SYKHDAC4HDAC8
SCHEMBL16713007 0.86 SYK (0.53) HSP90AA1HSP90AB1SYKHDAC4HDAC8
SCHEMBL16712924 0.86 PDE4D (0.54) HSP90AA1HSP90AB1HDAC4HDAC8HDAC2
SCHEMBL29460667 0.86 PARP1 (0.62) HSP90AA1HSP90AB1SYKHDAC4HDAC8
SCHEMBL16712923 0.85 LMNA (0.51) HSP90AA1HSP90AB1SYKHDAC8LMNA
SCHEMBL8891409 0.84 BACE1 (0.54) SYKLMNACES2CES1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 — — EP disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 — — US disclosed
EP-2438078-B1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIV KANSAS (US) 2017-10-25 — — EP disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 — — US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 — — US disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 — — US disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 — — US disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 — — WO disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 — — US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 — — US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 — — US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 — — US disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 — — US disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 — — US disclosed
WO-2011041593-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 — — WO disclosed
WO-2010096650-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIVERSITY OF KANSAS (US) 2010-08-26 — — WO disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 — — US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 — — 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 (5 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-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 1/4885SYK 751/4885
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885SYK 3301/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885SYK 688/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885SYK 3301/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 HSP90AA1 17/4885HSP90AB1 13/4885SYK 878/4885

“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.

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