SCHEMBL2961182

SCHEMBL2961182

Cc1cc(NC(C)C)c([N+](=O)[O-])cc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.49
MAPT P10636 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH3A1 P30838 2/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2967535 0.88 HCAR3 (0.53) HCAR3MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30889005 0.83 HCAR3 (0.48) HCAR3MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL21522808 0.83 HCAR3 (0.48) HCAR3MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5784069 0.80 MAPT (0.49) HCAR3MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL28763394 0.79 HCAR3 (0.48) HCAR3MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL29061680 0.79 HCAR3 (0.58) HCAR3MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL25352399 0.77 HCAR3 (0.49) HCAR3MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL404279 0.76 MAPT (0.51) MAPTALDH3A1LMNASMN1; SMN2ALDH1A1
SCHEMBL13373991 0.76 ALDH3A1 (0.41) HCAR3MAPTALDH3A1LMNAALDH1A1
SCHEMBL21808102 0.76 HCAR3 (0.58) HCAR3MAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664036-B1 BENZIMIDAZOLONE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2011-12-28 EP disclosed
US-20100273794-A1 Benzimidazolone Compounds Having 5-HT4 Receptor Agonistic Activity PFIZER INC. (US) 2010-10-28 US disclosed
US-7776885-B2 Benzimidazolone compounds having 5-HT4 receptor agonistic activity PFIZER, INC. (US) 2010-08-17 US disclosed
EP-1664036-A1 BENZIMIDAZOLONE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY Pfizer, Inc. (US) 2006-06-07 EP disclosed
US-20050148573-A1 Benzimidazolone compounds having 5-HT4 receptor agonistic activity PFIZER INC. 2005-07-07 US disclosed
WO-2005021539-A1 BENZIMIDAZOLONE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER JAPAN, INC. (JP) 2005-03-10 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 (2 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-20050148573-A1 Benzimidazolone compounds having 5-HT4 receptor agonistic activity HTR4, GPR4, HTR5A HCAR3 218/4885MAPT 2407/4885CYP1A2 1546/4885
US-20100273794-A1 Benzimidazolone Compounds Having 5-HT4 Receptor Agonistic Activity HTR4, GPR4, HTR5A HCAR3 218/4885MAPT 2407/4885CYP1A2 1546/4885

“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.