SCHEMBL4028148

SCHEMBL4028148

O=C(O)C[C@@H](NC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
MITF O75030 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 5/20 0.50
MAPK1 P28482 3/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2 P17301 1/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL4028151 1.00 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL7591232 1.00 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL2850903 0.95 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL5926970 0.86 FNTA (0.52) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL350064 0.85 ITGB3 (0.62) KMT2AMEN1MAPTITGB3ITGA2
SCHEMBL350063 0.85 ITGB3 (0.62) KMT2AMEN1MAPTITGB3ITGA2
SCHEMBL22995641 0.84 MEN1 (0.61) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL5027698 0.84 MEN1 (0.61) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL3717471 0.84 MEN1 (0.61) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL8579762 0.83 TDP1 (0.49) NPC1KMT2AMEN1MAPTCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177181-B1 SUBSTITUTED BICYCLIC COMPOUNDS AVENTIS PHARMA LTD (GB) 2009-01-28 EP disclosed
US-6562851-B2 Antiinflammatory and antiasthmatic agents; inhibitors of alpha4 beta1 mediated cell adhesion AVENTIS PHARMA LIMITED (GB) 2003-05-13 US disclosed
US-20020156111-A1 Substituted bicyclic compounds AVENTIS PHARMA LIMITED (GB) 2002-10-24 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-20020156111-A1 Substituted bicyclic compounds VCAM1, ITGA1, ITGA5 NPC1 1064/4885RAB9A 3240/4885SMN1; SMN2 3273/4885

“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.