SCHEMBL531403

SCHEMBL531403

O=Cc1ccc([N+](=O)[O-])c(O)c1Cl

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.59
GPR35 Q9HC97 2/20 0.50
TDP1 Q9NUW8 1/20 0.44
XDH P47989 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
VCAM1 P19320 1/20 0.42

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
SCHEMBL11454684 0.83 TDP1 (0.59) ERN1GPR35TDP1ALDH5A1ABAT
SCHEMBL4497809 0.83 ERN1 (0.70) ERN1GPR35XDHALDH5A1ABAT
SCHEMBL16838215 0.80 ERN1 (0.61) ERN1GPR35XDHALDH5A1ABAT
SCHEMBL7368834 0.79 ERN1 (0.56) ERN1GPR35XDH
SCHEMBL14092109 0.79 ERN1 (0.59) ERN1GPR35TDP1XDHALDH5A1
Bicarbonate SCHEMBL27618577 0.77 ERN1 (0.62) ERN1GPR35XDHALDH5A1ABAT
SCHEMBL31170798 0.77 TDP1 (0.67) ERN1GPR35TDP1VCAM1
SCHEMBL10434405 0.77 GPR35 (0.57) ERN1GPR35TDP1ALDH5A1ABAT
SCHEMBL5595026 0.77 TDP1 (0.67) ERN1GPR35TDP1VCAM1
SCHEMBL1527066 0.76 ERN1 (0.61) ERN1GPR35XDHALDH5A1ABAT

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-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
US-4584318-A FOR AGRICULTURAL CROPS FMC CORPORATION (US) 1986-04-22 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 (1 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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 ERN1 1074/4885GPR35 4412/4885TDP1 84/4885

“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.