SCHEMBL198720

SCHEMBL198720

N#CCN(F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
ALDH1A1 P00352 3/20 0.35
POLQ O75417 1/20 0.35
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MLYCD O95822 1/20 0.34
MAPT P10636 4/20 0.33
TSHR P16473 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
CYP1A2 P05177 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL154454 0.76 CRHBP (0.43) MAOBALDH1A1POLQUSP2HSD17B10
SCHEMBL9335759 0.76 MAOB (0.41) MAOBALDH1A1POLQUSP2HSD17B10
SCHEMBL6114578 0.73 MAOB (0.39) MAOBALDH1A1POLQUSP2HSD17B10
SCHEMBL17962525 0.73 MAOB (0.39) MAOBALDH1A1POLQUSP2HSD17B10
SCHEMBL304704 0.73 MAOB (0.47) MAOBALDH1A1USP2MAPTTSHR
SCHEMBL2065327 0.72 ALDH1A1 (0.40) ALDH1A1MAPTTSHRCYP1A2HTT
SCHEMBL28473883 0.71 ALDH1A1 (0.46) ALDH1A1USP2HSD17B10MAPTTSHR
SCHEMBL27705430 0.70 ALDH1A1 (0.39) ALDH1A1MAPTTSHRCRHBPCRHR2
SCHEMBL6671977 0.70 TSHR (0.53) MAOBALDH1A1MAPTTSHRCRHBP
SCHEMBL4138448 0.69 POLQ (0.36) MAOBALDH1A1POLQMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592250-A Low-cost environment-friendly preparation method of prasugrel XINFA PHARMACEUTICAL CO LTD 2015-05-06 CN claimed
JP-5148224-A None JP 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-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-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
US-20150125928-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC 2015-05-07 US disclosed
US-7521216-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2009-04-21 US disclosed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP disclosed
WO-2008106662-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2008-09-04 WO disclosed
EP-1578910-A4 NITRILASES VERENIUM CORP (US) 2008-06-04 EP disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 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
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
JP-H05148224-A N-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND AND ITS SALTS FUJISAWA PHARMACEUT CO LTD 1993-06-15 JP 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 MAOB 514/4885ALDH1A1 1350/4885POLQ 178/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 MAOB 373/4885ALDH1A1 953/4885POLQ 234/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS MAOB 659/4885ALDH1A1 1083/4885POLQ 202/4885

“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.