SCHEMBL6370147

SCHEMBL6370147

CCOc1cc(OCC)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
S1PR4 O95977 1/20 0.47
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
VCAM1 P19320 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 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
SCHEMBL8887345 0.93 LMNA (0.49) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL6819520 0.92 LMNA (0.49) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL11835695 0.85 MAPT (0.53) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL3259695 0.85 MAPT (0.46) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL5562501 0.85 MAPT (0.59) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL7783901 0.83 ALDH1A1 (0.44) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL3159310 0.82 LMNA (0.44) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL9651865 0.82 MAPT (0.55) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL8564000 0.81 ALDH1A1 (0.53) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL27248528 0.79 ALDH1A1 (0.49) LMNAMAPTALDH1A1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 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 (4 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 LMNA 4325/4885MAPT 1550/4885ALDH1A1 2007/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 LMNA 4325/4885MAPT 1550/4885ALDH1A1 2007/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 LMNA 4325/4885MAPT 1550/4885ALDH1A1 2007/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 LMNA 4095/4885MAPT 1395/4885ALDH1A1 2742/4885

“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.