SCHEMBL4694223

SCHEMBL4694223

COC(=O)c1c(C(C(=O)O)C(=O)O)ccc([N+](=O)[O-])c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
CYP1A2 P05177 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
ABCC4 O15439 2/20 0.40
CACNA1F O60840 2/20 0.40
ABCB11 O95342 2/20 0.40
LMNA P02545 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
OPRM1 P35372 2/20 0.40
SCN1A P35498 2/20 0.40
HTR2B P41595 2/20 0.40
CACNA1D Q01668 2/20 0.40
KCNH2 Q12809 2/20 0.40
CACNA1S Q13698 2/20 0.40

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
SCHEMBL4694230 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTCYP1A2TDP1
SCHEMBL5467919 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTCYP1A2TDP1
SCHEMBL4689474 0.80 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AMAPK1LMNA
SCHEMBL4433135 0.78 VCAM1 (0.53) ALDH1A1KMT2ALMNAHPGDTSHR
SCHEMBL4446049 0.78 VCAM1 (0.53) ALDH1A1KMT2ALMNAHPGDTSHR
SCHEMBL1069184 0.77 TDP1 (0.53) ALDH1A1SMN1; SMN2MAPTCYP1A2TDP1
SCHEMBL1071311 0.77 KMT2A (0.43) ALDH1A1SMN1; SMN2MAPTCYP1A2TDP1
SCHEMBL4689028 0.77 TDP1 (0.44) ALDH1A1SMN1; SMN2MAPTCYP1A2TDP1
SCHEMBL1072166 0.76 HCAR3 (0.46) ALDH1A1SMN1; SMN2MAPTCYP1A2TDP1
SCHEMBL1072292 0.75 HCAR3 (0.44) ALDH1A1SMN1; SMN2MAPTCYP1A2TDP1

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-1682547-B1 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2012-10-24 EP disclosed
EP-1682547-A4 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2008-12-31 EP disclosed
US-7323567-B2 RSV polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-01-29 US disclosed
EP-1682547-A1 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-07-26 EP disclosed
US-20050239814-A1 RSV polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2005-10-27 US disclosed
WO-2005042530-A1 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2005-05-12 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-20050239814-A1 RSV polymerase inhibitors POLR2E, POLR2H, POLR2A ALDH1A1 1290/4885SMN1; SMN2 199/4885MAPT 3709/4885

“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.