SCHEMBL1827357

SCHEMBL1827357

CC(O)(C(=O)O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
BLM P54132 2/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PTGS2 P35354 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
PGR P06401 1/20 0.40
THRB P10828 1/20 0.40
ADRB3 P13945 1/20 0.40
OPRK1 P41145 1/20 0.40
PMP22 Q01453 1/20 0.40

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
Hydrochloric Acid SCHEMBL17102116 0.98 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2LMNANAPRTP4HTM
SCHEMBL505194 0.82 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2LMNANAPRTP4HTM
SCHEMBL5074249 0.82 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2LMNANAPRTP4HTM
SCHEMBL17490335 0.80 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2BLMCYP2D6ALDH1A1
SCHEMBL11001068 0.80 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2BLMCYP2D6ALDH1A1
SCHEMBL622397 0.79 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2LMNANAPRTP4HTM
SCHEMBL1026708 0.79 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2LMNANAPRTP4HTM
SCHEMBL2086831 0.79 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2LMNANAPRTP4HTM
SCHEMBL31073982 0.79 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2LMNANAPRTP4HTM
SCHEMBL11520520 0.78 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2LMNANAPRTP4HTM

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
EP-1576108-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC (US) 2015-07-08 EP disclosed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP disclosed
EP-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 EP disclosed
US-8906663-B2 Nitrilases VERENIUM CORPORATION (US) 2014-12-09 US disclosed
CN-1849391-B Nitrilases, nucleic acids encoding nitrilases, and methods of making and using the same DIVERSA CORP 2014-06-11 CN disclosed
US-20130177949-A1 NITRILASES VERENIUM CORPORATION (US) 2013-07-11 US disclosed
EP-2115153-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BP CORP NORTH AMERICA INC (US) 2013-06-05 EP disclosed
EP-2222645-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS HOFFMANN LA ROCHE (CH) 2013-03-20 EP disclosed
US-20090176976-A1 Increased activity and stability at increased pH and temperature VERENIUM CORPORATION 2009-07-09 US disclosed
US-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-05-21 US disclosed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP disclosed
EP-1578910-A4 NITRILASES VERENIUM CORP (US) 2008-06-04 EP disclosed
EP-1576108-A4 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORP (US) 2008-01-09 EP disclosed
CN-1849391-A Nitrilases, nucleic acids encoding nitrilases, and methods of making and using the same DIVERSA CORP (US) 2006-10-18 CN disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP disclosed
EP-1576108-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2005-09-21 EP disclosed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 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-20090131482-A1 METHYL-BENZIMIDAZOLE DERIVATIVES HDAC10, CYP3A4, ECI1 L3MBTL1 1629/4885SMN1; SMN2 3391/4885LMNA 2801/4885

“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.