SCHEMBL4515027

SCHEMBL4515027

Cc1nc(NC(=O)CC(CO)NC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL4515018 1.00 MEN1 (0.38) MEN1KMT2APOLBCTDSP1SMN1; SMN2
SCHEMBL4515030 1.00 MEN1 (0.38) MEN1KMT2APOLBCTDSP1SMN1; SMN2
SCHEMBL5126018 0.75 MAPT (0.51) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL2067384 0.75 RAB9A (0.48) MEN1KMT2APOLBCTDSP1SMN1; SMN2
SCHEMBL5126008 0.75 MAPT (0.51) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL2018202 0.74 CYP1A2 (0.53) MEN1KMT2APOLBCTDSP1SMN1; SMN2
SCHEMBL5123860 0.73 MAPT (0.45) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL5123863 0.73 MAPT (0.45) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL5120760 0.72 MAPT (0.39) POLBSMN1; SMN2ALDH1A1MAPTCYP1A2
SCHEMBL5120767 0.72 MAPT (0.39) POLBSMN1; SMN2ALDH1A1MAPTCYP1A2

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 MEN1 1388/4885KMT2A 3598/4885POLB 116/4885

“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.