SCHEMBL4253271

SCHEMBL4253271

C[N+](C)(CC#N)CC[N+](C)(C)CC#N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.31
HTT P42858 4/20 0.31
RAB9A P51151 4/20 0.31
LMNA P02545 3/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL4611856 0.97 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2HTTRAB9ALMNA
SCHEMBL14039826 0.85 HTT (0.46) SMN1; SMN2HTTRAB9ALMNAMEN1
Hydrochloric Acid SCHEMBL4612119 0.85 HTT (0.37) SMN1; SMN2HTTRAB9ALMNAMEN1
SCHEMBL19762859 0.83
Bromide SCHEMBL4170067 0.83 HTT (0.40) SMN1; SMN2HTTRAB9ALMNAMEN1
Bromide SCHEMBL4169087 0.83 HTT (0.50) SMN1; SMN2HTTRAB9ALMNAMEN1
Hydrochloric Acid SCHEMBL5990146 0.81 CYP3A4 (0.43) LMNAMEN1KMT2A
Bromide SCHEMBL22034658 0.81 LMNA (0.43) SMN1; SMN2HTTRAB9ALMNAMEN1
SCHEMBL10756971 0.79 DNM1 (0.37) SMN1; SMN2HTTRAB9ALMNAMEN1
SCHEMBL5172778 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149668-A1 Method for Producing Sodium Chloride-Free Ammonium Nitriles CLARIANT INTERNATIONAL, LTD. (CH) 2009-06-11 US disclosed
EP-1856033-B1 IMPROVED METHOD FOR PRODUCING BI-FUNCTIONAL AMMONIUM NITRILES CLARIANT PRODUKTE DEUTSCHLAND (DE) 2008-10-22 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 (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-20090149668-A1 Method for Producing Sodium Chloride-Free Ammonium Nitriles CBR3, CBR1, AKR1C3 ALDH1A1 653/4885SMN1; SMN2 3631/4885HTT 2436/4885

“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.