SCHEMBL4359668

SCHEMBL4359668

CCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 13/20 0.79
ALDH1A1 P00352 1/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CDK9 P50750 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 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
SCHEMBL4362100 0.89 AGPAT2 (0.78) AGPAT2ALDH1A1LMNACDK9PIK3CA
SCHEMBL4360652 0.89 AGPAT2 (1.00) AGPAT2ALDH1A1LMNACDK9RAB9A
SCHEMBL4372065 0.86 AGPAT2 (0.89) AGPAT2ALDH1A1LMNACDK9RAB9A
SCHEMBL13622487 0.85 AGPAT2 (0.87) AGPAT2ALDH1A1CDK9
SCHEMBL4366528 0.83 AGPAT2 (0.84) AGPAT2ALDH1A1LMNAMAPTCDK9
SCHEMBL13880206 0.82 AGPAT2 (1.00) AGPAT2
SCHEMBL4360685 0.82 AGPAT2 (0.82) AGPAT2ALDH1A1LMNACDK9RAB9A
SCHEMBL4363416 0.80 AGPAT2 (0.83) AGPAT2ALDH1A1LMNAMAPTCDK9
SCHEMBL13622491 0.80 AGPAT2 (0.77) AGPAT2ALDH1A1LMNAMAPTCDK9
SCHEMBL4362325 0.78 AGPAT2 (0.74) AGPAT2ALDH1A1LMNACDK9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US claimed
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 US disclosed
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 US disclosed
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2008-03-13 US disclosed
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2008-03-13 US disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US disclosed
US-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2003-08-14 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 (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-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 39/4885ALDH1A1 1286/4885LMNA 2509/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 35/4885ALDH1A1 827/4885LMNA 1865/4885

“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.