SCHEMBL16039629

SCHEMBL16039629

Clc1ccc(-c2cnn(-c3cccs3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.51
MAP4K4 O95819 1/20 0.46
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KCNH2 Q12809 8/20 0.39
GRIN2B Q13224 2/20 0.39
EGLN1 Q9GZT9 2/20 0.37
KDR P35968 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.34
MELK Q14680 1/20 0.34

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
SCHEMBL16040316 0.85 GRM4 (0.58) GRM4KCNH2EGLN1KDRKDM4E
SCHEMBL21129389 0.85 GRM4 (0.50) GRM4EGLN1KDM4EALDH1A1HPGD
SCHEMBL29664269 0.75 GRM4 (0.48) GRM4MAP4K4TP53
SCHEMBL16039945 0.74 MAP4K4 (0.48) GRM4MAP4K4EGLN1KDM4EALDH1A1
SCHEMBL16039872 0.72 MAP4K4 (0.52) GRM4MAP4K4PDE3BPDE3AKCNH2
SCHEMBL2411655 0.71 GRM4 (0.44) GRM4EGLN1KDM4EALDH1A1HPGD
SCHEMBL27687615 0.70 EGLN1 (0.60) GRM4EGLN1
SCHEMBL12410455 0.69 MAP4K4 (0.52) GRM4MAP4K4KCNH2KDRMELK
SCHEMBL694374 0.68 MAP4K4 (0.58) GRM4MAP4K4KCNH2GRIN2BEGLN1
SCHEMBL22952500 0.68 GRM4 (0.44) GRM4EGLN1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9763449-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2017-09-19 US claimed
US-20160302415-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2016-10-20 US claimed
US-9402397-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2016-08-02 US claimed
US-20160007605-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2016-01-14 US claimed
US-10398144-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2019-09-03 US disclosed
US-10398144-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2019-09-03 US disclosed
US-20170332639-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2017-11-23 US disclosed
US-20170332639-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2017-11-23 US disclosed
US-20170332639-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2017-11-23 US disclosed
US-9763449-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2017-09-19 US disclosed
US-9763449-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2017-09-19 US disclosed
US-9763449-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2017-09-19 US disclosed
US-20160007605-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2016-01-14 US disclosed
US-9173401-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2015-11-03 US disclosed
US-9173401-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2015-11-03 US disclosed
US-9173401-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2015-11-03 US disclosed
WO-2014152115-A1 N-,C-DISUBSTITUTED AZOLES FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-25 WO disclosed
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-18 US disclosed
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-18 US disclosed
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-18 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 (5 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-20160007605-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT GRM4 2552/4885MAP4K4 4372/4885PDE3B 832/4885
US-20170332639-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT GRM4 2552/4885MAP4K4 4372/4885PDE3B 832/4885
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT GRM4 2552/4885MAP4K4 4372/4885PDE3B 832/4885
US-10398144-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests CYCS, DNPH1, DDT GRM4 2552/4885MAP4K4 4372/4885PDE3B 832/4885
US-20160302415-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT GRM4 2552/4885MAP4K4 4372/4885PDE3B 832/4885

“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.