SCHEMBL4129918

SCHEMBL4129918

CC(C)(C)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
IDH1 O75874 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
PDE7A Q13946 1/20 0.47
PDK1 Q15118 2/20 0.47
PDK2 Q15119 2/20 0.47
PDK3 Q15120 2/20 0.47
PDK4 Q16654 2/20 0.47
G6PD P11413 1/20 0.46
CRHBP P24387 1/20 0.46

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
SCHEMBL8936699 0.85 MAPT (0.51) L3MBTL1MAPTALDH1A1MAPK1IDH1
SCHEMBL1551583 0.83 PDE7A (0.64) L3MBTL1MAPTALDH1A1MAPK1IDH1
SCHEMBL6674647 0.82 L3MBTL1 (0.54) L3MBTL1MAPTALDH1A1MAPK1IDH1
SCHEMBL26125825 0.81 ALDH1A1 (0.56) L3MBTL1MAPTALDH1A1MAPK1IDH1
Nitrogen SCHEMBL27371697 0.81 PDE7A (0.61) L3MBTL1MAPTALDH1A1MAPK1IDH1
SCHEMBL3840810 0.80 MAPT (0.54) L3MBTL1MAPTALDH1A1MAPK1IDH1
SCHEMBL4005510 0.80 MEN1 (0.50) L3MBTL1MAPTALDH1A1MAPK1MEN1
SCHEMBL7294752 0.80 NPC1 (0.60) L3MBTL1MAPTALDH1A1MAPK1MEN1
SCHEMBL5705175 0.79 L3MBTL1 (0.67) L3MBTL1MAPTALDH1A1MAPK1IDH1
SCHEMBL3792617 0.79 KMT2A (0.58) L3MBTL1MAPTALDH1A1MEN1KMT2A

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-7598393-B2 Sulfonyl benzimidazole derivatives PFIZER INC. (US) 2009-10-06 US disclosed
EP-1809607-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2008-12-17 EP disclosed
US-20060094750-A1 Sulfonyl benzimidazole derivatives KON-I KANA 2006-05-04 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-20060094750-A1 Sulfonyl benzimidazole derivatives TRPV1, CNR2, CNR1 L3MBTL1 3301/4885MAPT 2052/4885ALDH1A1 2810/4885

“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.