SCHEMBL4842012

SCHEMBL4842012

CC1(C)Cc2ccccc2C(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.62
ALDH1A1 P00352 4/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 3/20 0.57
GFER P55789 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
MAPT P10636 4/20 0.51
TDP2 O95551 2/20 0.48
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL29964356 1.00 NPSR1 (0.62) NPSR1ALDH1A1POLBHPGDGFER
SCHEMBL1233069 0.81 ALDH1A1 (0.50) NPSR1ALDH1A1POLBHPGDGFER
SCHEMBL10323613 0.78 CA12 (0.53) NPSR1ALDH1A1POLBHPGDHTT
SCHEMBL15910500 0.76 GAA (0.60) NPSR1ALDH1A1POLBHPGDGFER
SCHEMBL21768055 0.75 HTT (0.58) ALDH1A1HPGDGFERHSD17B10HTT
SCHEMBL22782798 0.75 HTT (0.58) NPSR1ALDH1A1HPGDGFERHSD17B10
SCHEMBL30512977 0.75 HTT (0.58) NPSR1ALDH1A1HPGDGFERHSD17B10
SCHEMBL11663391 0.74 ALDH1A1 (0.54) NPSR1ALDH1A1POLBHPGDGFER
SCHEMBL9542535 0.74 ALDH1A1 (0.90) NPSR1ALDH1A1POLBHSD17B10HTT
SCHEMBL21768027 0.73 HTT (0.55) ALDH1A1HPGDGFERHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848364-B1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES AND INTERMEDIATES FOR THEIR PREPARATION SYNGENTA CROP PROTECTION AG (CH) 2024-10-23 EP disclosed
EP-3929197-B1 INTERMEDIATES FOR THE SYNTHESIS OF MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2024-03-06 EP disclosed
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
EP-3334736-B1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-06-28 EP disclosed
EP-3683213-B1 INTERMEDIATE FOR THE PREPARATION OF MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2022-10-12 EP disclosed
EP-3929197-A1 INTERMEDIATES FOR THE SYNTHESIS OF MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-12-29 EP disclosed
CN-109890208-B Fungicidal compositions 先正达参股股份有限公司 2021-10-22 CN disclosed
CN-110300521-B Fungicidal compositions 先正达参股股份有限公司 2021-10-15 CN disclosed
EP-3334736-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES Syngenta Participations AG (CH) 2018-06-20 EP disclosed
WO-2018060039-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2018-04-05 WO disclosed
US-20180079740-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 US disclosed
EP-3274343-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES Syngenta Participations AG (CH) 2018-01-31 EP disclosed
WO-2017025510-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-02-16 WO disclosed
WO-2016156085-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-10-06 WO disclosed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-6956033-B2 3,4-dihydroisoquinoline derivative compound and a pharmaceutical agent comprising it as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US 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-20180079740-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES MSR1, MANBA, ALG1 NPSR1 1229/4885ALDH1A1 2030/4885POLB 1494/4885
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, TRPV1 NPSR1 185/4885ALDH1A1 2167/4885POLB 2806/4885
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 NPSR1 280/4885ALDH1A1 2636/4885POLB 856/4885

“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.