SCHEMBL1307984

SCHEMBL1307984

O=[C]NCCCN1CCS(=O)(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PAOX Q6QHF9 1/20 0.30

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
SCHEMBL4166360 0.89 KMT2A (0.33) MEN1KMT2AACE2ALDH1A1
SCHEMBL3927123 0.82 PAOX (0.44) TP53SMN1; SMN2USP2KMT2APAOX
SCHEMBL3954996 0.81 USP2 (0.41) TP53SMN1; SMN2USP2ALDH1A1
SCHEMBL1306925 0.80 HRH3 (0.46) TP53SMN1; SMN2
SCHEMBL1307275 0.79 HRH3 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL3954098 0.77 ALDH1A1 (0.41) TP53SMN1; SMN2USP2MEN1KMT2A
SCHEMBL3937634 0.77 SLC2A1 (0.40) TP53SMN1; SMN2USP2ALDH1A1
SCHEMBL3949503 0.77 SMN1; SMN2 (0.40) TP53SMN1; SMN2USP2MEN1KMT2A
SCHEMBL17207595 0.77 CARM1 (0.43) TP53SMN1; SMN2USP2MEN1KMT2A
SCHEMBL6487250 0.77 KMT2A (0.33) TP53SMN1; SMN2USP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US claimed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US claimed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP claimed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO claimed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 WO 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-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 TP53 2/4885SMN1; SMN2 2884/4885USP2 2606/4885

“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.