SCHEMBL7101531

SCHEMBL7101531

C=C(c1cccc([N+](=O)[O-])c1)c1cn(C(=O)OC(C)(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 5/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
ELANE P08246 1/20 0.39
NCOA1 Q15788 1/20 0.39

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
SCHEMBL9301219 0.77 MAPT (0.46) MAPTALDH1A1CES2CES1TP53
SCHEMBL17673956 0.73 RAB9A (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31257136 0.73 POLB (0.34) MAPTALDH1A1TP53TSHRNPC1
SCHEMBL7100881 0.72 ALDH1A1 (0.41) MAPTALDH1A1CES2CES1TP53
SCHEMBL4746148 0.71 MAPT (0.62) MAPTALDH1A1CES2CES1TP53
SCHEMBL30822838 0.71 MAPT (0.62) MAPTALDH1A1CES2CES1TP53
SCHEMBL27449893 0.70 CES2 (0.59) MAPTALDH1A1CES2CES1TP53
SCHEMBL14880709 0.69 CES2 (0.69) MAPTALDH1A1CES2CES1TP53
SCHEMBL5849847 0.69 GPR119 (0.37) MAPTHTTMEN1KMT2A
SCHEMBL2471937 0.69 GPR119 (0.37) HTTKDM4EMEN1KMT2A

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
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A MAPT 4075/4885ALDH1A1 263/4885CES2 274/4885

“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.