SCHEMBL2442628

SCHEMBL2442628

CCN(CC)CCNC(=O)c1nc2ccc(I)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.46
▸ EGLN1 Q9GZT9 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ EGFR P00533 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40

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 SCHEMBL2444785 0.99 HRH4 (0.57) HRH4HRH3ALDH1A1EGLN1KDM4E
SCHEMBL2442625 0.91 HRH4 (0.50) HRH4HRH3ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL2444782 0.90 HRH4 (0.49) HRH4HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13426261 0.79 HRH4 (0.50) HRH4HRH3ALDH1A1EGLN1KDM4E
SCHEMBL2446195 0.77 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2EGFRKDR
SCHEMBL2444201 0.77 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2LMNASLC22A2
Hydrochloric Acid SCHEMBL2445453 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2EGFRKDR
Hydrochloric Acid SCHEMBL2447950 0.76 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2LMNASLC22A2
SCHEMBL2444395 0.76 HRH4 (0.57) HRH4HRH3ALDH1A1KDM4EEGFR
Hydrochloric Acid SCHEMBL2445525 0.75 HRH4 (0.56) HRH4HRH3ALDH1A1KDM4ELMNA

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-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 — — EP claimed
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 claimed
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 claimed
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

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 HRH4 3/4885HRH3 1/4885ALDH1A1 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.

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