SCHEMBL6973058

SCHEMBL6973058

COc1ccc([N+](=O)[O-])c(OC)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 4/20 0.52
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49
TUBB1 Q9H4B7 2/20 0.49
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 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
SCHEMBL4466194 0.89 ALDH1A1 (0.55) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL31077739 0.89 ALDH1A1 (0.55) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL11983744 0.85 ALDH1A1 (0.52) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL8377814 0.85 ALDH1A1 (0.55) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL10534522 0.83 ALDH1A1 (0.53) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL21295387 0.82 TDP1 (0.52) ALDH1A1TDP1KMT2AL3MBTL1LMNA
SCHEMBL27655290 0.82 KMT2A (0.46) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL34473004 0.81 ALDH1A1 (0.52) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL15018462 0.81 ALDH1A1 (0.52) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL1850069 0.80 ALDH1A1 (0.50) ALDH1A1TDP1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034110-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. 2025-01-30 US disclosed
EP-4380560-A1 LPAR1 ANTAGONISTS AND USES THEREOF Contineum Therapeutics, Inc. (US) 2024-06-12 EP disclosed
CN-118043041-A LPAR1 antagonists and uses thereof 康蒂内乌姆医疗公司 2024-05-14 CN disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
EP-0808838-B1 Sulfur-containing heterocyclic bradykinin antagonists, processes for their production and use thereof HOECHST AG (DE) 2003-10-22 EP disclosed
US-5834500-A ADMINISTERING DERIVATIVES OF BENZYLOXY-BENZOTHIAZENES TO CONTROL RELEASE OF PROSTAGLANDINS, LEUKOTRIENES, HISTAMINES, TACHYKININS, THROMBOXANES; ANALGESICS, ANTIASTHMATIC, ANTIINFLAMMATORY, WOUND HEALING AND ANTITUMOR AGENTSAGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-10 US disclosed
CN-1169992-A Sulfur-containing heterocyclic brad-ykinin antagcnists, process for their preparation and their use HOECHST AG (DE) 1998-01-14 CN disclosed
EP-0808838-A1 Sulfur-containing heterocyclic bradykinin antagonists, processes for their production and use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-26 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-20250034110-A1 LPAR1 ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR3 ALDH1A1 1523/4885TDP1 3301/4885TUBB4A 3339/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ALDH1A1 2289/4885TDP1 4683/4885TUBB4A 4280/4885

“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.