SCHEMBL4490833

SCHEMBL4490833

Cc1cc([N+](=O)[O-])ccc1NC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
HTT P42858 4/20 0.67
MAPT P10636 8/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
LMNA P02545 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAPK1 P28482 1/20 0.62
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
TAS1R2 Q8TE23 1/20 0.60
GRIN2D O15399 1/20 0.59
GRIN3B O60391 1/20 0.59
GRIN1 Q05586 1/20 0.59
GRIN2A Q12879 1/20 0.59

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
SCHEMBL3271853 1.00 ALDH1A1 (0.68) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL1285405 0.88 HTT (0.74) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL30168131 0.88 HTT (0.74) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL5520652 0.87 MAPT (0.64) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL4320215 0.86 HTT (0.68) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL4320209 0.86 HTT (0.68) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL1548208 0.85 KMT2A (0.68) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL7161691 0.84 MAPT (0.74) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL2071235 0.84 ALDH1A1 (0.61) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL14192526 0.84 ALDH1A1 (0.73) ALDH1A1HTTMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
US-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 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-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS PYCR1, OAT, UROD ALDH1A1 1882/4885HTT 2738/4885MAPT 137/4885

“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.