SCHEMBL3893229

SCHEMBL3893229

Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccc([N+](=O)[O-])cc3)CCCN(S(=O)(=O)c3ccc(C)cc3)CCCN(S(=O)(=O)c3ccc(C)cc3)CCC2)cc1

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD4 P01730 2/20 0.60
SORT1 Q99523 1/20 0.60
ALDH1A1 P00352 4/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL5680202 0.87 ALDH1A1 (0.71) CD4SORT1ALDH1A1POLBPKM
SCHEMBL13925192 0.83 CD4 (0.81) CD4SORT1ALDH1A1POLBPKM
SCHEMBL9709591 0.81 ALDH1A1 (0.62) CD4SORT1ALDH1A1POLBPKM
SCHEMBL21681941 0.81 ALDH1A1 (0.74) ALDH1A1POLBPKMHTTLMNA
SCHEMBL3156886 0.81 KDM4E (0.73) ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL13925209 0.80 CD4 (0.80) CD4SORT1ALDH1A1POLBPKM
SCHEMBL17961883 0.80 KDM4E (0.70) ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL1258731 0.79 CD4 (0.74) CD4SORT1ALDH1A1POLBPKM
SCHEMBL2206628 0.78 KDM4E (0.73) ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL7485956 0.78 ALDH1A1 (0.79) ALDH1A1HTTLMNASMN1; SMN2

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-7557205-B2 For improving contrast of X-ray, ultrasound, radionuclide and magnetic resonance images THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2009-07-07 US disclosed
US-20060069249-A1 For improving contrast of X-ray, ultrasound, radionuclide and magnetic resonance images HONG KONG POLYTECHNIC UNIVERSITY (CN) 2006-03-30 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-20060069249-A1 For improving contrast of X-ray, ultrasound, radionuclide and magnetic resonance images SON, SPIN3, SHROOM3 CD4 4084/4885SORT1 3788/4885ALDH1A1 4526/4885

“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.