SCHEMBL4206360

SCHEMBL4206360

CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1ccc(N(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 2/20 0.58
▸ LMNA P02545 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ PDE6D O43924 1/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPT P10636 2/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ HPGD P15428 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TP53 P04637 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
SCHEMBL4216784 0.89 HDAC2 (0.61) HDAC2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL29020524 0.89 NPC1 (0.58) HDAC2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4210891 0.88 HDAC2 (0.60) HDAC2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4206094 0.88 CYP3A4 (0.69) HDAC2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4206896 0.86 HDAC2 (0.77) HDAC2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4215568 0.86 HDAC2 (0.58) HDAC2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4199189 0.84 CYP3A4 (0.73) HDAC2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4202749 0.80 SMN1; SMN2 (0.64) HDAC2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4215625 0.79 ALDH1A1 (0.57) HDAC2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4202718 0.79 ALDH1A1 (0.56) HDAC2LMNASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137574-A1 Combination Therapy Using an 11Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor and an Antihypertensive Agent for the Treatment of Metabolic Syndrome and Related Diseases and Disorders NOVO NORDISK A/S (DK) 2009-05-28 — — US claimed
EP-1615637-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2006-01-18 — — EP claimed
WO-2004089367-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2004-10-21 — — WO claimed
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 (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-20090137574-A1 Combination Therapy Using an 11Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor and an Antihypertensive Agent for the Treatment of Metabolic Syndrome and Related Diseases and Disorders HSD11B1, HSD11B2, HSD17B1 HDAC2 736/4885LMNA 2005/4885SMN1; SMN2 3473/4885
US-20060100235-A1 Pharmaceutical use of substituted 1,2,4-triazoles HSD3B1, HSD11B1, HSD3B2 HDAC2 267/4885LMNA 3906/4885SMN1; SMN2 4499/4885

“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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