SCHEMBL12880465

SCHEMBL12880465

CCN(CCNC(=O)c1cnc2cc(I)ccc2n1)CCOc1cccnc1[18F]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
SCN1A P35498 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
GHSR Q92847 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1210237 1.00 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1ABCB11LMNA
Hydrochloric Acid SCHEMBL1209788 0.99 KDM4E (0.38) SMN1; SMN2KDM4EALDH1A1ABCB11LMNA
SCHEMBL12880377 0.91 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1ABCB11LMNA
SCHEMBL12880461 0.90 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1ABCB11LMNA
SCHEMBL12880451 0.90 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1ABCB11LMNA
SCHEMBL1210100 0.90 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EALDH1A1ABCB11LMNA
Hydrochloric Acid SCHEMBL1210386 0.89 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1ABCB11LMNA
SCHEMBL1207855 0.88 KDM4E (0.37) SMN1; SMN2KDM4EALDH1A1ABCB11LMNA
SCHEMBL17054262 0.86 KDM4E (0.40) SMN1; SMN2KDM4EALDH1A1ABCB11LMNA
SCHEMBL1208419 0.84 RAD52 (0.44) SMN1; SMN2KDM4EALDH1A1ABCB11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-02-24 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-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS CBR3, ADRB3, HRH4 SMN1; SMN2 3676/4885KDM4E 4623/4885ALDH1A1 1763/4885

“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.