SCHEMBL197908

SCHEMBL197908

N#CC(O)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
ACP3 P15309 1/20 0.43
ADRB2 P07550 4/20 0.42
CYP2D6 P10635 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PIP4K2A P48426 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 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
SCHEMBL15096099 1.00 CTNNB1 (0.49) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL15096098 1.00 CTNNB1 (0.49) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL31450593 1.00 CTNNB1 (0.49) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL11567192 0.82 CTNNB1 (0.45) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL9676538 0.82 TDP1 (0.53) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL9678479 0.82 TDP1 (0.53) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL27081048 0.82 CTNNB1 (0.49) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL6444450 0.82 TDP1 (0.53) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL14720291 0.81 CTNNB1 (0.47) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL27627250 0.79 CYP1A2 (0.46) CTNNB1TDP1CYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084395-A1 ENGINEERED NITRILASES FOR BIOCATALYSIS KCAT ENZYMATIC PRIVATE LIMITED (IN) 2025-03-13 US claimed
US-20250084395-A1 ENGINEERED NITRILASES FOR BIOCATALYSIS KCAT ENZYMATIC PRIVATE LIMITED (IN) 2025-03-13 US disclosed
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
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
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
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
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP 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 CTNNB1 4880/4885TDP1 34/4885CYP1A2 2975/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 CTNNB1 4877/4885TDP1 49/4885CYP1A2 1608/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS CTNNB1 4451/4885TDP1 328/4885CYP1A2 1283/4885

“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.