SCHEMBL3230655

SCHEMBL3230655

CCOC(=O)c1cc([N+](=O)[O-])c(C(=O)O)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
POLB P06746 3/20 0.53
GALR2 O43603 1/20 0.53
MITF O75030 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HPGD P15428 1/20 0.53
XBP1 P17861 1/20 0.53
CCR6 P51684 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 2/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 2/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 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
SCHEMBL11418690 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL25352364 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL11244929 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL670959 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL17930514 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL2684598 0.85 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL670300 0.83 MAPT (0.54) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL27248957 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL16647610 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL670956 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAPOLBGALR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458392-B9 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2010-07-28 EP disclosed
EP-1458392-B1 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2009-09-02 EP disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
EP-1458392-A4 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-08 EP disclosed
EP-1458392-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME Bristol-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-20040053955-A1 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 US disclosed
WO-2003059269-A2 ACRIDONE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-24 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 (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-20040053955-A1 Acridone inhibitors of IMPDH enzyme IMPDH2, IMPDH1, XDH ALDH1A1 39/4885SMN1; SMN2 3300/4885LMNA 3692/4885

“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.