SCHEMBL5025929

SCHEMBL5025929

CC(Nc1ccccc1)(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 6/20 0.40
ALDH1A1 P00352 3/20 0.40
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5 P09917 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1646972 0.74 NAPRT (0.46) SMN1; SMN2MAPTNAPRTHSD17B10ALOX5
SCHEMBL5514973 0.74 NAPRT (0.46) SMN1; SMN2MAPTNAPRTHSD17B10ALOX5
SCHEMBL3120886 0.74 L3MBTL1 (0.45) SMN1; SMN2MAPTALDH1A1HSD17B10ALOX5
SCHEMBL8749884 0.74 GAA (0.36) SMN1; SMN2MAPTALDH1A1NAPRTHSD17B10
SCHEMBL23629736 0.72 NAPRT (0.45) SMN1; SMN2MAPTNAPRTHSD17B10ALOX5
Hydrochloric Acid SCHEMBL8791650 0.72 NAPRT (0.45) SMN1; SMN2MAPTNAPRTHSD17B10ALOX5
SCHEMBL27554730 0.72 PDK1 (0.47) SMN1; SMN2MAPTNAPRTHSD17B10ALOX5
SCHEMBL9693754 0.72 NPSR1 (0.44) SMN1; SMN2MAPTNAPRTHSD17B10ALOX5
SCHEMBL4355210 0.72 GAA (0.42) MAPTALDH1A1ALOX5L3MBTL1ALOX12
SCHEMBL1339748 0.71 NAPRT (0.43) SMN1; SMN2MAPTNAPRTHSD17B10ALOX5

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-1983992-A2 2-IMINO-BENZIMIDAZOLES Abbott Laboratories (US) 2008-10-29 EP disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 SMN1; SMN2 824/4885MAPT 2918/4885ALDH1A1 39/4885

“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.