SCHEMBL3584980

SCHEMBL3584980

C[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
GPR35 Q9HC97 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRM8 O00222 1/20 0.50
GRM4 Q14833 1/20 0.50
CYP1A2 P05177 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CES2 O00748 1/20 0.47
HIF1A Q16665 1/20 0.46
PDK1 Q15118 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL2130850 1.00 ALDH1A1 (0.50) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL17165018 1.00 ALDH1A1 (0.50) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL3584977 1.00 ALDH1A1 (0.50) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL19329393 0.90 ALDH1A1 (0.50) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL16284320 0.84 TSHR (0.53) ALDH1A1GPR35TSHRTDP1KDM4E
SCHEMBL2026853 0.83 ALDH1A1 (0.53) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL2026857 0.83 ALDH1A1 (0.53) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL2129944 0.83 ALDH1A1 (0.49) ALDH1A1GPR35TP53HPGDTSHR
SCHEMBL1970520 0.83 ATM (0.46) ALDH1A1CYP1A2TDP1MAPTHTT
SCHEMBL1613117 0.83 PDK1 (0.44) ALDH1A1GPR35TSHRMAPK1CYP1A2

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
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20070167444-A1 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
EP-1632477-A1 BENZAMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-03-08 EP 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-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 ALDH1A1 1223/4885GPR35 171/4885TP53 4661/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 ALDH1A1 1426/4885GPR35 140/4885TP53 4476/4885

“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.