SCHEMBL3531370

SCHEMBL3531370

O=[N+]([O-])c1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.55
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HIF1A Q16665 1/20 0.45
PDE7A Q13946 1/20 0.45
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
S1PR4 O95977 2/20 0.41
HTT P42858 1/20 0.41
VCAM1 P19320 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
SCHEMBL22069746 0.87 PDE7A (0.58) HSD17B10ALDH1A1PDE7AMAPTTDP1
SCHEMBL22069708 0.82 HSPB1 (0.68) HSPB1ALDH1A1HIF1APDE7AMAPT
SCHEMBL20154998 0.82 HSPB1 (0.53) HSPB1ALDH1A1HIF1APDE7AMAPT
SCHEMBL29845685 0.82 HSPB1 (0.53) HSPB1ALDH1A1HIF1APDE7AMAPT
SCHEMBL22069594 0.80 HSPB1 (0.61) HSPB1HSD17B10ALDH1A1PDE7AMAPT
SCHEMBL11094531 0.80 VCAM1 (0.62) HSD17B10ALDH1A1PDE7AMAPTTDP1
SCHEMBL14965155 0.79 HSPB1 (0.73) HSPB1ALDH1A1HIF1APDE7AMAPT
SCHEMBL22069742 0.79 HSPB1 (0.60) HSPB1HSD17B10ALDH1A1HIF1APDE7A
SCHEMBL9629003 0.79 PDE7A (0.56) HSPB1HSD17B10ALDH1A1PDE7AMAPT
SCHEMBL22069596 0.79 HSPB1 (0.56) HSPB1ALDH1A1HIF1APDE7AMAPT

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-7652047-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2010-01-26 US disclosed
US-7652047-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2010-01-26 US disclosed
US-7652047-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2010-01-26 US disclosed
US-20080306063-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-12-11 US disclosed
US-20080306063-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-12-11 US disclosed
US-20080306063-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-12-11 US disclosed
US-7429667-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-09-30 US disclosed
US-7429667-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-09-30 US disclosed
US-7429667-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-09-30 US disclosed
WO-2006133417-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2006-12-14 WO disclosed
US-20060194802-A1 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. 2006-08-31 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-20080306063-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS BRAF, MAP4K2, MAP3K4 HSPB1 1575/4885HSD17B10 4101/4885ALDH1A1 2204/4885
US-20060194802-A1 Phenylamino isothiazole carboxamidines as MEK inhibitors BRAF, MAP4K2, MAP3K4 HSPB1 1575/4885HSD17B10 4101/4885ALDH1A1 2204/4885

“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.