SCHEMBL4288702

SCHEMBL4288702

COC(=O)c1ccc([N+](=O)[O-])c(OCCCl)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.57
PELP1 Q8IZL8 1/20 0.57
VCAM1 P19320 1/20 0.50
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45
PRSS1 P07477 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11949145 0.88 AR (0.58) ARPELP1VCAM1AKR1C3AKR1C2
SCHEMBL1346767 0.88 AR (0.61) ARPELP1VCAM1AKR1C3AKR1C2
SCHEMBL8887657 0.88 AR (0.58) ARPELP1VCAM1AKR1C3AKR1C2
SCHEMBL222905 0.87 AKR1C3 (0.61) ARPELP1VCAM1AKR1C3AKR1C2
SCHEMBL8169431 0.87 AR (0.60) ARPELP1VCAM1AKR1C3AKR1C2
SCHEMBL24100292 0.86 AR (0.56) ARPELP1VCAM1AKR1C3AKR1C2
SCHEMBL221362 0.85 AR (0.61) ARPELP1VCAM1AKR1C3AKR1C2
SCHEMBL7618685 0.85 AR (0.58) ARPELP1VCAM1AKR1C3AKR1C2
SCHEMBL6870341 0.85 AKR1C3 (0.56) ARPELP1VCAM1AKR1C3AKR1C2
SCHEMBL7354751 0.85 AR (0.55) ARPELP1VCAM1AKR1C3AKR1C2

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 AR 490/4885PELP1 4794/4885VCAM1 4270/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 AR 490/4885PELP1 4794/4885VCAM1 4270/4885

“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.