SCHEMBL2444799

SCHEMBL2444799

CCN(CC)CCNC(=O)c1cccc2nc3cc(Br)ccc3nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAD52 P43351 4/20 0.52
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SMARCA2 P51531 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 3/20 0.48
AOX1 Q06278 1/20 0.47
GAA P10253 2/20 0.46
POLR1A O95602 2/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
SCN1A P35498 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL13426411 0.87 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2RAD52LMNA
SCHEMBL2445995 0.87 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2RAD52LMNA
Hydrochloric Acid SCHEMBL2442653 0.86 RAD52 (0.53) KDM4EALDH1A1SMN1; SMN2RAD52LMNA
SCHEMBL1208096 0.84 RAD52 (0.44) KDM4EALDH1A1SMN1; SMN2RAD52LMNA
SCHEMBL2447933 0.82 RAD52 (0.49) KDM4EALDH1A1SMN1; SMN2RAD52LMNA
SCHEMBL2447168 0.80 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2RAD52LMNA
SCHEMBL24684963 0.77 RAD52 (0.76) KDM4EALDH1A1SMN1; SMN2RAD52MAPT
SCHEMBL10867471 0.76 RAD52 (0.65) KDM4EALDH1A1SMN1; SMN2RAD52SMARCA2
Hydrochloric Acid SCHEMBL10866187 0.76 RAD52 (0.78) KDM4EALDH1A1SMN1; SMN2RAD52MAPT
SCHEMBL2444406 0.75 AOX1 (0.62) KDM4EALDH1A1SMN1; SMN2RAD52LMNA

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 4 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-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.