SCHEMBL4285904

SCHEMBL4285904

COCc1cc(C(=O)OC)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.55
HTT P42858 1/20 0.51
POLB P06746 1/20 0.48
AR P10275 1/20 0.47
PELP1 Q8IZL8 1/20 0.47
KMT2A Q03164 4/20 0.47
USP10 Q14694 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 1/20 0.46
PTGER4 P35408 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 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
SCHEMBL18013199 0.88 VCAM1 (0.61) VCAM1HTTARPELP1KMT2A
SCHEMBL7086433 0.87 VCAM1 (0.51) VCAM1HTTPOLBARPELP1
SCHEMBL7084968 0.87 VCAM1 (0.56) VCAM1HTTPOLBARPELP1
SCHEMBL29897189 0.87 CASP6 (0.58) POLBKMT2AHPGDMEN1MAPT
SCHEMBL4299408 0.87 CASP6 (0.58) POLBKMT2AHPGDMEN1MAPT
SCHEMBL29393897 0.86 KMT2A (0.50) VCAM1HTTPOLBARPELP1
SCHEMBL2876988 0.85 VCAM1 (0.55) VCAM1HTTPOLBARPELP1
SCHEMBL29995132 0.85 VCAM1 (0.55) VCAM1HTTPOLBARPELP1
SCHEMBL29393477 0.85 VCAM1 (0.49) VCAM1HTTPOLBARPELP1
SCHEMBL3970290 0.84 VCAM1 (0.53) VCAM1HTTARPELP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 US disclosed
EP-1803455-A1 N-thiazol-2-yl-benzamide derivatives H.Lundbeck A/S (DK) 2007-07-04 EP disclosed
EP-1682129-B1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2007-02-21 EP disclosed
EP-1682129-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2006-07-26 EP disclosed
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-07-13 US disclosed
WO-2005039572-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2005-05-06 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-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES ADORA2A, ADORA3, ADORA1 VCAM1 4270/4885HTT 460/4885POLB 4314/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 VCAM1 4270/4885HTT 460/4885POLB 4314/4885

“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.