SCHEMBL19083023

SCHEMBL19083023

CC(=O)Nc1nnc(SCc2ccccc2)n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 4/20 0.52
LMNA P02545 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
POLB P06746 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HDAC3 O15379 1/20 0.47
PTK2 Q05397 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL19083025 0.82 SMN1; SMN2 (0.62) SMN1; SMN2GAALMNASIRT2MEN1
SCHEMBL19083027 0.79 GAA (0.67) SMN1; SMN2GAALMNASIRT2MEN1
SCHEMBL19083024 0.74 SMN1; SMN2 (0.52) SMN1; SMN2GAALMNASIRT2POLB
SCHEMBL19083022 0.72 SMN1; SMN2 (1.00) SMN1; SMN2GAALMNASIRT2MEN1
SCHEMBL5819243 0.69 SMN1; SMN2 (0.68) SMN1; SMN2GAALMNASIRT2POLB
SCHEMBL5819247 0.69 SMN1; SMN2 (0.68) SMN1; SMN2GAALMNASIRT2POLB
SCHEMBL28803669 0.69 ALDH1A1 (0.56) SMN1; SMN2GAALMNAPOLBMEN1
SCHEMBL19083026 0.68 SMN1; SMN2 (0.58) SMN1; SMN2GAALMNASIRT2MEN1
SCHEMBL7821745 0.68 GAA (1.00) GAALMNAPOLBMEN1KMT2A
SCHEMBL4944951 0.68 ALDH1A1 (0.58) SMN1; SMN2GAASIRT2MEN1KMT2A

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 1282/4885LMNA 4402/4885
US-10323016-B2 Imidazol- or 1,2,4-triazol-derivatives and their use CYP3A43, CYP51A1, CYP3A7 SMN1; SMN2 2642/4885GAA 1282/4885LMNA 4402/4885

“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.