SCHEMBL4357684

SCHEMBL4357684

CCOc1ccc(Cl)cc1-c1nc(Cl)nc(Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 12/20 0.59
DHFR P00374 1/20 0.48
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC9A1 P19634 1/20 0.41

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
SCHEMBL4456567 0.76 L3MBTL1 (0.46) AGPAT2HPGDTSHRMEN1LMNA
SCHEMBL4360652 0.75 AGPAT2 (1.00) AGPAT2LMNAKDM4ENFKB1ALDH1A1
SCHEMBL2525158 0.73 TSHR (0.56) HPGDTSHRMEN1KMT2AL3MBTL1
SCHEMBL4372065 0.72 AGPAT2 (0.89) AGPAT2DHFRLMNAKDM4ENFKB1
SCHEMBL4359675 0.72 AGPAT2 (0.48) AGPAT2MEN1KMT2ARECQLKDM4E
SCHEMBL4286869 0.72 AGPAT2 (0.70) AGPAT2DHFR
SCHEMBL22573825 0.71 AGPAT2 (0.49) AGPAT2DHFRTSHRMEN1KMT2A
SCHEMBL29518008 0.71 HTR2B (0.66) AGPAT2TSHRALDH1A1
SCHEMBL4368469 0.71 HTR2B (0.66) AGPAT2TSHRALDH1A1
SCHEMBL1547765 0.71 TDP1 (0.56) HPGDTSHRL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2003037346-A1 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER CELL THERAPEUTICS, INC. (US) 2003-05-08 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 (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 39/4885DHFR 1713/4885HPGD 2432/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 35/4885DHFR 1524/4885HPGD 2426/4885

“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.