SCHEMBL19083022

SCHEMBL19083022

Nc1nnc(SCc2ccccc2)n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 1.00
GAA P10253 1/20 0.75
SIRT2 Q8IXJ6 3/20 0.58
LMNA P02545 4/20 0.53
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 1/20 0.52
TERT O14746 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
METAP2 P50579 1/20 0.50
PDE7A Q13946 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
THRB P10828 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL21100256 0.79 SMN1; SMN2 (0.65) SMN1; SMN2GAALMNAALDH1A1NPSR1
SCHEMBL19083025 0.77 SMN1; SMN2 (0.62) SMN1; SMN2GAASIRT2LMNAALDH1A1
SCHEMBL19083027 0.76 GAA (0.67) SMN1; SMN2GAASIRT2LMNAALDH1A1
SCHEMBL6410759 0.75 CYP3A4 (0.83) SMN1; SMN2LMNAALDH1A1TERTCYP3A4
SCHEMBL6404390 0.75 CYP3A4 (0.60) SMN1; SMN2GAASIRT2LMNAALDH1A1
SCHEMBL16409978 0.74 SIRT2 (1.00) SMN1; SMN2GAASIRT2LMNAALDH1A1
SCHEMBL19083026 0.74 SMN1; SMN2 (0.58) SMN1; SMN2GAASIRT2LMNAALDH1A1
SCHEMBL11511053 0.72 MAPK1 (0.79) SMN1; SMN2GAALMNAALDH1A1NPSR1
SCHEMBL31160388 0.72 SIRT2 (0.58) SMN1; SMN2GAASIRT2LMNAALDH1A1
SCHEMBL19083023 0.72 SMN1; SMN2 (0.56) SMN1; SMN2GAASIRT2LMNAALDH1A1

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 2642/4885GAA 1282/4885SIRT2 1046/4885
US-10323016-B2 Imidazol- or 1,2,4-triazol-derivatives and their use CYP3A43, CYP51A1, CYP3A7 SMN1; SMN2 2642/4885GAA 1282/4885SIRT2 1046/4885

“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.