SCHEMBL3096045

SCHEMBL3096045

C1CN(CSSCN2CCNC2)CN1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CXCR4 P61073 2/20 0.32
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL15224399 0.83 SMN1; SMN2 (0.41) POLBSMN1; SMN2HSD17B10CXCR4CHRM5
SCHEMBL22444413 0.76
SCHEMBL2007452 0.76
SCHEMBL415783 0.72
SCHEMBL23599207 0.70
SCHEMBL615128 0.70
SCHEMBL4715 0.70
SCHEMBL13698656 0.70
Hydrochloric Acid SCHEMBL16486635 0.70
SCHEMBL7223824 0.70 CHRM5 (0.33) POLBSMN1; SMN2HSD17B10CXCR4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462444-B1 INTERMEDIATE FOR BIOTIN AND PROCESS FOR PRODUCING THE SAME MITSUBISHI TANABE PHARMA CORP (JP) 2009-09-16 EP claimed
US-20050038260-A1 Intermediate for biotin and process for producing the same API CORPORATION (JP) 2005-02-17 US claimed
EP-1462444-A1 INTERMEDIATE FOR BIOTIN AND PROCESS FOR PRODUCING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-09-29 EP claimed
US-7799929-B2 Biotin intermediate and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2010-09-21 US disclosed
EP-1462444-B1 INTERMEDIATE FOR BIOTIN AND PROCESS FOR PRODUCING THE SAME MITSUBISHI TANABE PHARMA CORP (JP) 2009-09-16 EP disclosed
EP-2098528-A2 Biotin intermediate and process for preparing the same Mitsubishi Tanabe Pharma Corporation (JP) 2009-09-09 EP disclosed
US-20080119655-A1 Biotin intermediate and process for preparing the same SEKI MASAHIKO 2008-05-22 US disclosed
US-7335778-B2 Intermediate for biotin and process for producing the same TANABE SEIYAKU CO., LTD. (JP) 2008-02-26 US disclosed
US-20050038260-A1 Intermediate for biotin and process for producing the same API CORPORATION (JP) 2005-02-17 US disclosed
EP-1462444-A1 INTERMEDIATE FOR BIOTIN AND PROCESS FOR PRODUCING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-09-29 EP 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-20080119655-A1 Biotin intermediate and process for preparing the same BTD, BOLA2; BOLA2B, BCAT1 POLB 1543/4885SMN1; SMN2 4588/4885HSD17B10 724/4885
US-20050038260-A1 Intermediate for biotin and process for producing the same BTD, BCAT1, HLCS POLB 1418/4885SMN1; SMN2 4723/4885HSD17B10 570/4885

“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.