SCHEMBL2444771

SCHEMBL2444771

CCN(CC)CCNC(=O)c1ccc(I)c2c(=O)c3ccccc3[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.53
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLR1A O95602 2/20 0.43
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP6 P55212 1/20 0.41
CYP1A2 P05177 2/20 0.41
GAA P10253 2/20 0.41
KCNH2 Q12809 2/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 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 SCHEMBL2444197 0.99 EGFR (0.53) EGFRKDM4EALDH1A1HPGDABCG2
SCHEMBL13425530 0.89 EGFR (0.54) EGFRKDM4EALDH1A1HPGDABCG2
SCHEMBL2448721 0.86 EGFR (0.48) EGFRKDM4EALDH1A1HPGDABCG2
Hydrochloric Acid SCHEMBL2446914 0.85 EGFR (0.47) EGFRKDM4EALDH1A1HPGDABCG2
SCHEMBL12330687 0.84 CHEK1 (0.48) KDM4EALDH1A1ABCG2SMN1; SMN2KMT2A
SCHEMBL2440154 0.82 EGFR (0.60) EGFRKDM4EALDH1A1HPGDABCG2
SCHEMBL2447367 0.82 EGFR (0.53) EGFRKDM4EALDH1A1HPGDABCG2
Hydrochloric Acid SCHEMBL2450756 0.82 EGFR (0.59) EGFRKDM4EALDH1A1HPGDABCG2
Hydrochloric Acid SCHEMBL2447411 0.81 EGFR (0.53) EGFRKDM4EALDH1A1HPGDABCG2
SCHEMBL2440320 0.77 ABCG2 (0.48) EGFRKDM4EALDH1A1HPGDABCG2

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 7 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
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 234/4885KDM4E 3466/4885ALDH1A1 794/4885

“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.