SCHEMBL197986

SCHEMBL197986

N#CC(O)Cc1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
TAAR1 Q96RJ0 3/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
IDO1 P14902 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TSHR P16473 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
PYCR1 P32322 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP2A13 Q16696 1/20 0.33
TRPA1 O75762 1/20 0.32
KMT2A Q03164 1/20 0.32
RIPK1 Q13546 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32

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
SCHEMBL4656004 0.80 CYP1A1 (0.43) CYP1A1CYP1A2CYP1B1TAAR1CTSS
SCHEMBL10701084 0.77 TAAR1 (0.46) TAAR1IDO1PPARGPPARATSHR
SCHEMBL197708 0.77 TAAR1 (0.41) TAAR1CTSSCTSKIDO1PPARG
SCHEMBL27658783 0.77 CYP1A2 (0.41) CYP1A1CYP1A2CYP1B1TAAR1CTSS
SCHEMBL28765830 0.77 IDO1 (0.42) TAAR1IDO1PPARGPPARATSHR
SCHEMBL198401 0.77 DPP4 (0.40) TAAR1PPARGPPARATSHRSLC6A2
SCHEMBL16882780 0.77 TSHR (0.36) CYP1A1CYP1A2CYP1B1TSHRTRPA1
SCHEMBL31450593 0.74 CTNNB1 (0.49) CYP1A2CTSSCTSKALDH1A1
SCHEMBL197908 0.74 CTNNB1 (0.49) CYP1A2CTSSCTSKALDH1A1
SCHEMBL15096098 0.74 CTNNB1 (0.49) CYP1A2CTSSCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 US disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
CN-105296512-A Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC 2016-02-03 CN disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
CN-102796750-B The nucleic acid of nitrilase, encoding nitrilase enzyme, and the method preparing and use them BASF ENZYMES LLC (US) 2015-09-16 CN 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
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them DIVERSA CORPORATION (US) 2004-01-22 US disclosed
US-20040002147-A1 Nitrilases DIVERSA CORPORATION 2004-01-01 US disclosed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US 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 (3 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-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them RNGTT, NSUN2, NSUN3 CYP1A1 2398/4885CYP1A2 2975/4885CYP1B1 2517/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 CYP1A1 1336/4885CYP1A2 1608/4885CYP1B1 1548/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS CYP1A1 1472/4885CYP1A2 1283/4885CYP1B1 1066/4885

“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.