SCHEMBL2445547

SCHEMBL2445547

CCN(CC)CCNC(=O)c1cccc2c(=O)c3ccc(I)cc3[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.54
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 2/20 0.46
EGFR P00533 1/20 0.45
TERT O14746 2/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
POLR1A O95602 2/20 0.42
CYP1A2 P05177 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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 SCHEMBL2447093 0.99 ABCG2 (0.53) ABCG2ALDH1A1KDM4EHPGDEGFR
SCHEMBL2440320 0.92 ABCG2 (0.48) ABCG2ALDH1A1KDM4EHPGDEGFR
Hydrochloric Acid SCHEMBL2443186 0.91 ABCG2 (0.48) ABCG2ALDH1A1KDM4EHPGDEGFR
SCHEMBL2447954 0.84 ALDH1A1 (0.50) ABCG2ALDH1A1KDM4EHPGDEGFR
Hydrochloric Acid SCHEMBL2449548 0.83 ALDH1A1 (0.49) ABCG2ALDH1A1KDM4EHPGDEGFR
SCHEMBL2448721 0.83 EGFR (0.48) ABCG2ALDH1A1KDM4EHPGDEGFR
SCHEMBL2447367 0.83 EGFR (0.53) ABCG2ALDH1A1KDM4EHPGDEGFR
Hydrochloric Acid SCHEMBL2446914 0.82 EGFR (0.47) ABCG2ALDH1A1KDM4EHPGDEGFR
Hydrochloric Acid SCHEMBL2447411 0.82 EGFR (0.53) ABCG2ALDH1A1KDM4EHPGDEGFR
SCHEMBL2440154 0.78 EGFR (0.60) ABCG2ALDH1A1KDM4EHPGDEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 EP claimed
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 EP disclosed
EP-2363399-A1 Labelled analogues of halobenzamides as radiopharmaceuticals INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-09-07 EP disclosed
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 US disclosed
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 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-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS HRH3, H1-3, HRH4 ABCG2 993/4885ALDH1A1 794/4885KDM4E 3466/4885

“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.