SCHEMBL13123445

SCHEMBL13123445

CN(C)C(=O)c1ccc(NS)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ HTT P42858 2/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.43
▸ FLT3 P36888 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ CYP1A2 P05177 6/20 0.41
▸ CYP3A4 P08684 5/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ USP2 O75604 3/20 0.41
▸ AURKA O14965 1/20 0.40
▸ ERN1 O75460 1/20 0.40
▸ TSHR P16473 3/20 0.40
▸ CLK4 Q9HAZ1 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40

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
SCHEMBL1004649 0.82 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDHTTEPHX2
SCHEMBL5013530 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL19459308 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL1782141 0.79 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL13922750 0.79 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL17695989 0.78 NAMPT (0.54) —
SCHEMBL15124764 0.78 HTT (0.53) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL15386428 0.77 HTT (0.44) HTTCYP3A4ERN1MEN1KMT2A
SCHEMBL24164417 0.76 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL9479734 0.76 MAPK13 (0.60) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 — — US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 — — US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 — — US disclosed
US-7816539-B2 Derivatives of benzimidazole and imidazo-pyridine and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2010-10-19 — — 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 (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-20130303516-A1 NOVEL TRIAZINE COMPOUNDS MTOR, MAPKAP1, PIK3R5 ALDH1A1 3791/4885SMN1; SMN2 3534/4885HPGD 2598/4885

“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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