SCHEMBL5995926

SCHEMBL5995926

CCn1c(SCc2cc(OC)cc(OC)c2)nnc1-c1ccc(N(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.59
▸ TSHR P16473 3/20 0.59
▸ KMT2A Q03164 4/20 0.53
▸ CYP1A2 P05177 4/20 0.53
▸ CYP2C19 P33261 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ ALDH1A1 P00352 6/20 0.51
▸ PKM P14618 1/20 0.51
▸ CYP2D6 P10635 3/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ PDE6D O43924 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALPG P10696 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ GAA P10253 1/20 0.44

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
SCHEMBL4199189 0.90 CYP3A4 (0.73) CYP3A4TSHRKMT2ACYP1A2CYP2C19
SCHEMBL4206374 0.85 CYP3A4 (0.80) CYP3A4TSHRKMT2ACYP1A2CYP2C19
SCHEMBL4204711 0.84 CYP3A4 (0.59) CYP3A4TSHRKMT2ACYP1A2CYP2C19
SCHEMBL4206332 0.81 CYP3A4 (0.86) CYP3A4TSHRKMT2ACYP1A2CYP2C19
SCHEMBL4211105 0.79 ALDH1A1 (0.72) CYP3A4TSHRKMT2ACYP1A2CYP2C19
SCHEMBL4206983 0.79 SMN1; SMN2 (0.61) CYP3A4TSHRKMT2ACYP1A2CYP2C19
SCHEMBL4206360 0.79 HDAC2 (0.58) CYP3A4TSHRKMT2ACYP1A2CYP2C19
SCHEMBL6410833 0.78 CYP3A4 (0.76) CYP3A4TSHRKMT2ACYP1A2CYP2C19
SCHEMBL5994753 0.78 CYP3A4 (0.54) CYP3A4TSHRKMT2ACYP1A2CYP2C19
SCHEMBL4206021 0.77 TSHR (0.53) CYP3A4TSHRKMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100235-A1 Pharmaceutical use of substituted 1,2,4-triazoles NOVO NORDISK A/S (DK) 2006-05-11 — — 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-20060100235-A1 Pharmaceutical use of substituted 1,2,4-triazoles HSD3B1, HSD11B1, HSD3B2 CYP3A4 48/4885TSHR 2592/4885KMT2A 3816/4885

“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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