SCHEMBL16434776

SCHEMBL16434776

Fc1ccc(SC2CNC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.43
DDB1 Q16531 1/20 0.43
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR2C P28335 2/20 0.37
HTR6 P50406 1/20 0.37
HTR1A P08908 3/20 0.36
HTR3A P46098 3/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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 SCHEMBL16423208 0.98 CRBN (0.42) CRBNDDB1CHRNB2CHRNB4CHRNA3
SCHEMBL20002700 0.84 DDB1 (0.42) CRBNDDB1HTR2CHTR6HTR1A
SCHEMBL20002189 0.84 DDB1 (0.42) CRBNDDB1HTR2CHTR6HTR1A
SCHEMBL642608 0.79 CRBN (0.47) CRBNDDB1GRIN1GRIN2BMAOA
SCHEMBL2547361 0.79 DDB1 (0.45) CRBNDDB1HTR1AHTR3AMAOA
SCHEMBL24111487 0.78 CYP2A6 (0.35) CRBNMAOAMAOB
SCHEMBL28157888 0.78 CRBN (0.43) CRBNDDB1CHRNB2CHRNA4HTR6
SCHEMBL5223258 0.78 DDB1 (0.43) CRBNDDB1CHRNB2CHRNA4HTR1A
Hydrochloric Acid SCHEMBL2773983 0.78 DDB1 (0.44) CRBNDDB1HTR1AHTR3AMAOA
SCHEMBL15212244 0.77 DDB1 (0.39) CRBNDDB1CHRNB4CHRNA3HTR2C

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 5 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-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 CRBN 1906/4885DDB1 3672/4885CHRNB2 169/4885

“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.