SCHEMBL12893076

SCHEMBL12893076

CCN(CC)CCNC(=O)c1cc(=O)c2cc(I)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.48
▸ EGFR P00533 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDR P35968 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ LMNA P02545 3/20 0.42
▸ GLA P06280 1/20 0.42

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
SCHEMBL2444395 0.85 HRH4 (0.57) EGFRKDM4EALDH1A1MAPTHRH4
Hydrochloric Acid SCHEMBL2445525 0.84 HRH4 (0.56) KDM4EALDH1A1MAPTHRH4HRH3
SCHEMBL2440320 0.77 ABCG2 (0.48) TP53EGFRKDM4EALDH1A1GAA
SCHEMBL2445804 0.76 KDM4E (0.55) KDM4EALDH1A1GAAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL2443186 0.76 ABCG2 (0.48) TP53EGFRKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL2448160 0.76 KDM4E (0.54) KDM4EALDH1A1GAAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL2444412 0.76 KDM4E (0.54) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL13456154 0.74 HDAC1 (0.60) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2442625 0.74 HRH4 (0.50) TP53EGFRKDM4EALDH1A1GAA
SCHEMBL8947049 0.73 HTR2C (0.76) EGFRKDM4EALDH1A1GAAHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252605-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTE RECH MED (FR) 2018-06-13 — — EP disclosed
EP-2252605-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTE RECH MED (FR) 2018-06-13 — — EP disclosed
US-9125937-B2 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2015-09-08 — — US disclosed
US-9125937-B2 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2015-09-08 — — US disclosed
US-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-02-24 — — US disclosed
WO-2009095872-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-08-06 — — 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-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS CBR3, ADRB3, HRH4 TP53 3989/4885EGFR 221/4885KDM4E 4623/4885

“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.

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