SCHEMBL16434845

SCHEMBL16434845

NCC(O)Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
TRPA1 O75762 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
MAOB P27338 2/20 0.41
IDO1 P14902 5/20 0.40
AGXT P21549 2/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
AOC2 O75106 1/20 0.39
MAOA P21397 1/20 0.39
AOC3 Q16853 1/20 0.39
CPA1 P15085 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
Hydrochloric Acid SCHEMBL14764546 0.98 LOXL2 (0.48) LOXL2TRPA1TAAR1MAOBIDO1
SCHEMBL29498021 0.80 LOXL2 (0.52) LOXL2TRPA1TAAR1MAOBIDO1
SCHEMBL29498042 0.80 LOXL2 (0.52) LOXL2TRPA1TAAR1MAOBIDO1
SCHEMBL27465388 0.80 LOXL2 (0.48) LOXL2MAOBMAOACYP1A2CYP2D6
SCHEMBL10585894 0.80 TRPA1 (0.53) LOXL2TRPA1MAOBIDO1PPARG
SCHEMBL16067460 0.80 TRPA1 (0.53) LOXL2TRPA1MAOBIDO1PPARG
SCHEMBL1430822 0.80 TRPA1 (0.59) LOXL2TRPA1TAAR1IDO1PPARG
SCHEMBL14005420 0.79 TAAR1 (0.54) LOXL2TAAR1MAOBAOC2MAOA
SCHEMBL7991885 0.78 TAAR1 (0.46) TAAR1IDO1AGXTPPARGPPARA
SCHEMBL6605532 0.78 HTR2A (0.46) TAAR1IDO1PPARGPPARACYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426656-B1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2021-05-12 EP disclosed
WO-2017153919-A1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2017-09-14 WO disclosed
CN-103958515-B Amino-substituted imidazopyridazines 拜耳知识产权有限责任公司 2016-11-09 CN disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 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 (1 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-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G LOXL2 2671/4885TRPA1 23/4885TAAR1 422/4885

“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.