SCHEMBL19083024

SCHEMBL19083024

CC(=O)N(c1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
SIRT2 Q8IXJ6 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 3/20 0.44
RECQL P46063 1/20 0.44
HDAC3 O15379 1/20 0.43
PTK2 Q05397 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PDE7A Q13946 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TERT O14746 1/20 0.41

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
SCHEMBL19083026 0.81 SMN1; SMN2 (0.58) SMN1; SMN2SIRT2GAAALDH1A1MEN1
SCHEMBL19083023 0.74 SMN1; SMN2 (0.56) SMN1; SMN2SIRT2GAAALDH1A1MEN1
SCHEMBL19083022 0.69 SMN1; SMN2 (1.00) SMN1; SMN2SIRT2GAAALDH1A1MEN1
SCHEMBL19083025 0.69 SMN1; SMN2 (0.62) SMN1; SMN2SIRT2GAAALDH1A1MEN1
SCHEMBL11841965 0.68 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL28803669 0.66 ALDH1A1 (0.56) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL5819247 0.66 SMN1; SMN2 (0.68) SMN1; SMN2SIRT2GAAALDH1A1MEN1
SCHEMBL19083027 0.65 GAA (0.67) SMN1; SMN2SIRT2GAAALDH1A1MEN1
SCHEMBL28478277 0.65 ALDH1A1 (0.58) SMN1; SMN2SIRT2GAAALDH1A1MEN1
SCHEMBL6404390 0.64 CYP3A4 (0.60) SMN1; SMN2SIRT2GAAALDH1A1MEN1

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.