SCHEMBL19083026

SCHEMBL19083026

CN(c1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
SIRT2 Q8IXJ6 3/20 0.51
GAA P10253 1/20 0.49
LMNA P02545 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TERT O14746 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
METAP2 P50579 2/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
PDE7A Q13946 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 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
SCHEMBL19083024 0.81 SMN1; SMN2 (0.52) SMN1; SMN2SIRT2GAALMNAALDH1A1
SCHEMBL17336744 0.78 GPBAR1 (0.72) SMN1; SMN2ALDH1A1TERTGPBAR1METAP2
SCHEMBL19083022 0.74 SMN1; SMN2 (1.00) SMN1; SMN2SIRT2GAALMNAALDH1A1
SCHEMBL19083025 0.73 SMN1; SMN2 (0.62) SMN1; SMN2SIRT2GAALMNAALDH1A1
SCHEMBL19083020 0.71 GPBAR1 (0.88) GPBAR1
SCHEMBL19083027 0.69 GAA (0.67) SMN1; SMN2SIRT2GAALMNAALDH1A1
SCHEMBL6410759 0.69 CYP3A4 (0.83) SMN1; SMN2LMNAALDH1A1TERTMETAP2
SCHEMBL6404390 0.69 CYP3A4 (0.60) SMN1; SMN2SIRT2GAALMNAALDH1A1
SCHEMBL19083023 0.68 SMN1; SMN2 (0.56) SMN1; SMN2SIRT2GAALMNAALDH1A1
SCHEMBL6489608 0.68 SMN1; SMN2 (0.51) SMN1; SMN2SIRT2GAALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323016-B2 Imidazol- or 1,2,4-triazol-derivatives and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2019-06-18 US disclosed
US-20170190687-A1 IMIDAZOL- OR 1,2,4-TRIAZOL-DERIVATIVES AND THEIR USE Université de Lille (FR) 2017-07-06 US disclosed
US-20170190687-A1 IMIDAZOL- OR 1,2,4-TRIAZOL-DERIVATIVES AND THEIR USE Université de Lille (FR) 2017-07-06 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 (2 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-20170190687-A1 IMIDAZOL- OR 1,2,4-TRIAZOL-DERIVATIVES AND THEIR USE CYP3A43, CYP51A1, CYP3A7 SMN1; SMN2 2642/4885SIRT2 1046/4885GAA 1282/4885
US-10323016-B2 Imidazol- or 1,2,4-triazol-derivatives and their use CYP3A43, CYP51A1, CYP3A7 SMN1; SMN2 2642/4885SIRT2 1046/4885GAA 1282/4885

“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.