SCHEMBL16038331

SCHEMBL16038331

c1ccc(-n2cc(-c3ccco3)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 6/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
ALOX12 P18054 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTGS1 P23219 2/20 0.48
HSD17B10 Q99714 4/20 0.46
TSHR P16473 1/20 0.46
P2RX7 Q99572 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
NOTUM Q6P988 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.44
MAOA P21397 1/20 0.44
CA12 O43570 2/20 0.43

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
SCHEMBL16039655 0.86 FLT3 (0.55) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL16041896 0.86 FLT3 (0.55) ALDH1A1KDM4EHPGDNPC1MAPT
SCHEMBL1119554 0.74 PTGS2 (0.66) PTGS1P2RX7NOTUML3MBTL1MAOA
SCHEMBL28331494 0.73 CYP19A1 (0.62) ALDH1A1NPC1MEN1KMT2AHSD17B10
Bromide SCHEMBL6256547 0.73 PTGS2 (0.64) PTGS1P2RX7NOTUML3MBTL1MAOA
SCHEMBL16038524 0.72 KEAP1 (0.48) PTGS1P2RX7NOTUML3MBTL1MAOA
SCHEMBL16039980 0.72 HSD17B10 (0.42) ALDH1A1NPC1MAPTMEN1KMT2A
SCHEMBL16040535 0.70 BCHE (0.51) ALDH1A1KDM4EHPGDNPC1PTGS1
SCHEMBL714849 0.70 P2RX7 (0.45) PTGS1P2RX7NOTUML3MBTL1MAOA
SCHEMBL16039276 0.70 PTGS1 (0.51) ALDH1A1KDM4EHPGDNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10398144-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2019-09-03 US claimed
US-20170332639-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2017-11-23 US claimed
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-9173401-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2015-11-03 US claimed
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-18 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-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 ALDH1A1 2730/4885KDM4E 1491/4885HPGD 3139/4885
US-20170332639-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT ALDH1A1 2730/4885KDM4E 1491/4885HPGD 3139/4885
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT ALDH1A1 2730/4885KDM4E 1491/4885HPGD 3139/4885
US-10398144-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests CYCS, DNPH1, DDT ALDH1A1 2730/4885KDM4E 1491/4885HPGD 3139/4885
US-20160302415-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT ALDH1A1 2730/4885KDM4E 1491/4885HPGD 3139/4885

“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.