SCHEMBL13426261

SCHEMBL13426261

CCN(CC)CCNC(=O)c1nc2cc([125I])ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ EGFR P00533 1/20 0.43
▸ LMNA P02545 4/20 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
▸ BLM P54132 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ NFKB1 P19838 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
SCHEMBL2442625 0.86 HRH4 (0.50) HRH4HRH3ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL2444782 0.85 HRH4 (0.49) HRH4HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2442628 0.79 HRH4 (0.58) HRH4HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13426234 0.79 HRH4 (0.57) HRH4HRH3ALDH1A1KDM4EEGFR
Hydrochloric Acid SCHEMBL2444785 0.78 HRH4 (0.57) HRH4HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13426298 0.75 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2LMNASLC22A2
SCHEMBL13426319 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2LMNASLC22A2
SCHEMBL20982609 0.73 HDAC6 (0.52) ALDH1A1SMN1; SMN2LMNASLC22A2SLC22A1
SCHEMBL13426153 0.73 LMNA (0.58) ALDH1A1SMN1; SMN2LMNASLC22A2SLC22A1
SCHEMBL13426304 0.71 KDM4E (0.56) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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