SCHEMBL2445973

SCHEMBL2445973

CCN(CC)CCNC(=O)c1cccc2cc3ccc(I)cc3nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
AOX1 Q06278 1/20 0.55
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HPGD P15428 2/20 0.48
RAD52 P43351 5/20 0.47
POLR1A O95602 3/20 0.46
CYP1A2 P05177 2/20 0.46
KCNH2 Q12809 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
OPRK1 P41145 1/20 0.44
CACNA1C Q13936 1/20 0.44

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 SCHEMBL2448743 0.99 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2AOX1HDAC1
SCHEMBL2444406 0.93 AOX1 (0.62) KDM4EALDH1A1SMN1; SMN2AOX1HDAC1
Hydrochloric Acid SCHEMBL2444368 0.92 AOX1 (0.61) KDM4EALDH1A1SMN1; SMN2AOX1HDAC1
SCHEMBL2447168 0.89 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2AOX1HDAC1
SCHEMBL2445995 0.85 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2AOX1HPGD
SCHEMBL2442381 0.84 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2AOX1HDAC1
Hydrochloric Acid SCHEMBL2442653 0.84 RAD52 (0.53) KDM4EALDH1A1SMN1; SMN2AOX1HPGD
SCHEMBL2443275 0.84 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2AOX1HDAC1
Hydrochloric Acid SCHEMBL2442318 0.84 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2AOX1HDAC1
SCHEMBL12330259 0.83 HDAC1 (0.51) KDM4EALDH1A1SMN1; SMN2AOX1HDAC1

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 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
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 KDM4E 3466/4885ALDH1A1 794/4885SMN1; SMN2 2978/4885

“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.