SCHEMBL2447367

SCHEMBL2447367

CCN(CC)CCNC(=O)c1cc(I)cc2c(=O)c3ccccc3[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.53
ABCG2 Q9UNQ0 2/20 0.47
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 8/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLR1A O95602 1/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
OPRK1 P41145 1/20 0.43

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 SCHEMBL2447411 0.99 EGFR (0.53) EGFRABCG2KDM4EALDH1A1HPGD
SCHEMBL2440320 0.85 ABCG2 (0.48) EGFRABCG2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL2443186 0.84 ABCG2 (0.48) EGFRABCG2KDM4EALDH1A1HPGD
SCHEMBL2445547 0.83 ABCG2 (0.54) EGFRABCG2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL2447093 0.82 ABCG2 (0.53) EGFRABCG2KDM4EALDH1A1HPGD
SCHEMBL2444771 0.82 EGFR (0.53) EGFRABCG2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL2444197 0.81 EGFR (0.53) EGFRABCG2KDM4EALDH1A1HPGD
SCHEMBL2440154 0.80 EGFR (0.60) EGFRABCG2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL2450756 0.80 EGFR (0.59) EGFRABCG2KDM4EALDH1A1HPGD
SCHEMBL13425530 0.78 EGFR (0.54) EGFRABCG2KDM4EALDH1A1HPGD

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 8 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-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
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
WO-2008012782-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-31 WO 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 EGFR 234/4885ABCG2 993/4885KDM4E 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.