SCHEMBL15047614

SCHEMBL15047614

O=C(O)CN1CCCN(CC(=O)O)CCN(CC(=O)O)C(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CN(CC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ SIGMAR1 Q99720 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ KCNJ1 P48048 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39

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
SCHEMBL15709381 0.98 KDM4E (0.47) KDM4ESIGMAR1LMNAALDH1A1KCNJ1
SCHEMBL20145851 0.91 KDM4E (0.43) KDM4ESIGMAR1LMNAALDH1A1KCNJ1
SCHEMBL15047602 0.86 SIGMAR1 (0.42) SIGMAR1ALDH1A1KCNH2L3MBTL1SMN1; SMN2
SCHEMBL16186965 0.85 KDM4E (0.43) KDM4ESIGMAR1LMNAALDH1A1KCNJ1
SCHEMBL15709382 0.83 SIGMAR1 (0.43) SIGMAR1ALDH1A1KCNH2KMT2A
SCHEMBL25271966 0.82 KCNJ1 (0.46) KDM4ELMNAALDH1A1KCNJ1KCNH2
SCHEMBL3420319 0.82 KCNJ1 (0.46) KDM4ELMNAALDH1A1KCNJ1KCNH2
SCHEMBL31539506 0.82 KCNJ1 (0.46) KDM4ELMNAALDH1A1KCNJ1KCNH2
SCHEMBL6852082 0.82 KCNJ1 (0.46) KDM4ELMNAALDH1A1KCNJ1KCNH2
Hydrochloric Acid SCHEMBL30287913 0.81 KCNJ1 (0.45) KDM4ELMNAALDH1A1KCNJ1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140314670-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS UNIVERSITE DE CERGY PONTOISE (FR) 2014-10-23 — — US disclosed
WO-2013088395-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-06-20 — — 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-20140314670-A1 CLICKED SOMATOSTATIN CONJUGATED ANALOGS FOR BIOLOGICAL APPLICATIONS SSTR4, SSTR3, SSTR2 KDM4E 1752/4885SIGMAR1 352/4885LMNA 1146/4885

“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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