SCHEMBL16434967

SCHEMBL16434967

O=c1nc(N2CCN(c3ccc(F)cc3)CC2)ncn1Cc1ccc(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HSP90AB1 P08238 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL16434727 0.89 MAPT (0.40) ALDH1A1MAPTHTTSMN1; SMN2LMNA
SCHEMBL16422663 0.87 MEN1 (0.43) POLBALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL16534603 0.87 PSEN1 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL16422288 0.86 GAA (0.38) ALDH1A1MAPTHTTSMN1; SMN2LMNA
SCHEMBL16423278 0.85 KMT2A (0.39) ALDH1A1MAPTHTTSMN1; SMN2LMNA
SCHEMBL16534496 0.85 GAA (0.40) ALDH1A1MAPTHTTSMN1; SMN2LMNA
SCHEMBL16423272 0.85 KDM4E (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL16422463 0.84 MEN1 (0.40) TDP1POLBALDH1A1MAPTHTT
SCHEMBL16434757 0.84 MAPT (0.40) POLBALDH1A1MAPTHTTHSP90AB1
SCHEMBL16422354 0.84 MEN1 (0.43) POLBALDH1A1MAPTHTTSMN1; SMN2

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
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-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
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
CN-104203928-A Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL IND LTD 2014-12-10 — — CN 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 TDP1 3938/4885POLB 4497/4885ALDH1A1 2675/4885

“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.

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