SCHEMBL8938353

SCHEMBL8938353

CCOC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 14/20 0.74
TUBB P07437 14/20 0.74
TUBA3C P0DPH7 14/20 0.74
TUBA1B P68363 14/20 0.74
TUBA4A P68366 14/20 0.74
TUBB4B P68371 14/20 0.74
TUBB3 Q13509 14/20 0.74
TUBB2A Q13885 14/20 0.74
TUBB8 Q3ZCM7 14/20 0.74
TUBA3E Q6PEY2 14/20 0.74
TUBA1A Q71U36 14/20 0.74
TUBA1C Q9BQE3 14/20 0.74
TUBB6 Q9BUF5 14/20 0.74
TUBB2B Q9BVA1 14/20 0.74
TUBB1 Q9H4B7 14/20 0.74
ALDH1A1 P00352 1/20 0.67
CYP1A2 P05177 1/20 0.67
HPGD P15428 1/20 0.67
XBP1 P17861 1/20 0.67
CYP2C19 P33261 1/20 0.67

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
SCHEMBL21465487 0.93 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21465586 0.91 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21465547 0.91 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4319398 0.89 TUBB4A (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29819733 0.89 TUBB4A (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25761908 0.88 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21465492 0.88 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938425 0.87 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21465477 0.87 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16239970 0.86 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11690824-B2 Antibacterial compounds THE GENERAL HOSPITAL CORPORATION (US) 2023-07-04 US disclosed
US-11690824-B2 Antibacterial compounds THE GENERAL HOSPITAL CORPORATION (US) 2023-07-04 US disclosed
US-11690824-B2 Antibacterial compounds THE GENERAL HOSPITAL CORPORATION (US) 2023-07-04 US disclosed
US-20210251958-A1 Antibacterial Compounds RHODE ISLAND HOSPITAL, A LIFESPAN-PARTNER 2021-08-19 US disclosed
US-20210251958-A1 Antibacterial Compounds RHODE ISLAND HOSPITAL, A LIFESPAN-PARTNER 2021-08-19 US disclosed
WO-2019199979-A1 ANTIBACTERIAL COMPOUNDS THE GENERAL HOSPITAL CORPORATION (US) 2019-10-17 WO disclosed
WO-2019199979-A1 ANTIBACTERIAL COMPOUNDS THE GENERAL HOSPITAL CORPORATION (US) 2019-10-17 WO disclosed
US-5527819-A TREATING AIDS MERCK & CO., INC. (US) 1996-06-18 US disclosed
EP-0686148-A4 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO INC (US) 1996-02-07 EP disclosed
EP-0686148-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO. INC. (US) 1995-12-13 EP disclosed
WO-1994019321-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1994-09-01 WO disclosed
US-5225421-A Leukotriene antagonists; cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1993-07-06 US disclosed
EP-0275667-B1 3-HETERO-SUBSTITUTED-N-BENZYL-INDOLES MERCK FROSST CANADA INC. (CA) 1992-03-18 EP disclosed
US-5081138-A Antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-01-14 US disclosed
EP-0275667-A1 3-hetero-substituted-N-benzyl-indoles MERCK FROSST CANADA INC. (CA) 1988-07-27 EP 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-11690824-B2 Antibacterial compounds MRPL21, SPOUT1, BAX TUBB4A 71/4885TUBB 10/4885TUBA3C 324/4885
US-20210251958-A1 Antibacterial Compounds MRPL21, SPOUT1, BAX TUBB4A 71/4885TUBB 10/4885TUBA3C 324/4885

“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.