SCHEMBL4459679

SCHEMBL4459679

CN(C(=O)OCCCCl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
MAPT P10636 6/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MMP14 P50281 1/20 0.41
KCNH2 Q12809 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39

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
SCHEMBL4467320 0.96 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAACHRNB2CHRNB4
SCHEMBL28032524 0.88 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAACHRNB2CHRNB4
SCHEMBL7876880 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAACHRNB2CHRNB4
SCHEMBL8751720 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAAMAPTCRHBP
SCHEMBL7870367 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMAPTCRHBP
SCHEMBL1854417 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2GAAMAPTCRHBP
SCHEMBL513490 0.75 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GAAMAPTCRHBP
SCHEMBL1232308 0.75 MAPT (0.49) ALDH1A1SMN1; SMN2GAAMAPTCRHBP
SCHEMBL10759692 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMAPTL3MBTL1
SCHEMBL7878478 0.73 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAACHRNB2CHRNB4

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-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 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-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC ALDH1A1 910/4885SMN1; SMN2 1529/4885GAA 3096/4885

“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.