SCHEMBL6175892

SCHEMBL6175892

COc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.59
TXNRD1 Q16881 13/20 0.58
RAB9A P51151 2/20 0.52
S1PR4 O95977 1/20 0.52
MAPT P10636 1/20 0.52
S1PR1 P21453 1/20 0.52
MAPK1 P28482 1/20 0.52
GFER P55789 1/20 0.52
PAX8 Q06710 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
MGMT P16455 1/20 0.49
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
APP P05067 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
SCHEMBL30112419 0.90 PIN1 (0.63) PIN1TXNRD1RAB9AMEN1NPC1
SCHEMBL20277911 0.84 PIN1 (0.56) PIN1TXNRD1RAB9AMAPTNPSR1
SCHEMBL20278132 0.83 PIN1 (0.61) PIN1RAB9AMAPTMEN1NPC1
SCHEMBL4651284 0.81 PIN1 (0.69) PIN1TXNRD1RAB9AMAPTMEN1
SCHEMBL4652383 0.80 APP (0.57) PIN1RAB9AMAPTMEN1NPC1
SCHEMBL10740434 0.79 TXNRD1 (0.58) TXNRD1RAB9AS1PR4MAPTS1PR1
SCHEMBL4652574 0.78 APP (0.67) PIN1RAB9AMEN1NPC1KMT2A
SCHEMBL14332844 0.78 PIN1 (0.59) PIN1RAB9AMEN1NPC1KMT2A
SCHEMBL30271339 0.78 PIN1 (0.49) PIN1TXNRD1RAB9AMEN1NPC1
SCHEMBL23273999 0.78 PIN1 (0.54) PIN1TXNRD1RAB9AMEN1NPC1

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
EP-4380560-A1 LPAR1 ANTAGONISTS AND USES THEREOF Contineum Therapeutics, Inc. (US) 2024-06-12 EP disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
EP-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 US disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS PIN1 1552/4885TXNRD1 1110/4885RAB9A 1477/4885

“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.