SCHEMBL17485677

SCHEMBL17485677

O=C(OCc1ccccc1)N1CCN(Cc2ccccn2)CCN(C(=O)OCc2ccccc2)CCN(Cc2ccccn2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.74
▸ ALDH1A1 P00352 7/20 0.74
▸ MAPT P10636 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ GRIN2B Q13224 2/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ GFER P55789 1/20 0.51

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
SCHEMBL2733243 0.87 GRIN2B (0.57) KDM4EALDH1A1NPSR1SMN1; SMN2GRIN2B
SCHEMBL8263854 0.85 ALDH1A1 (0.55) KDM4EALDH1A1NPSR1SMN1; SMN2GRIN2B
SCHEMBL13150170 0.82 KDM4E (0.60) KDM4EALDH1A1MAPTTSHRNPSR1
SCHEMBL23301332 0.82 FAAH (0.61) KDM4EALDH1A1NPSR1SMN1; SMN2GRIN2B
SCHEMBL20097550 0.82 ALDH1A1 (0.73) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL2930129 0.81 ALDH1A1 (0.72) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL379160 0.81 MEN1 (0.76) ALDH1A1TSHRNPSR1SMN1; SMN2GRIN2B
SCHEMBL4814264 0.81 MEN1 (0.76) ALDH1A1TSHRNPSR1SMN1; SMN2GRIN2B
SCHEMBL3970912 0.81 MEN1 (0.76) ALDH1A1TSHRNPSR1SMN1; SMN2GRIN2B
SCHEMBL7393652 0.81 MEN1 (0.76) ALDH1A1TSHRNPSR1SMN1; SMN2GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210714-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-07-27 — — US disclosed
US-20170210714-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-07-27 — — US disclosed
WO-2016016272-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2016-02-04 — — 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-20170210714-A1 MACROCYCLIC COMPLEXES, THEIR PROCESS OF PREPARATION AND USE AS PET IMAGING AGENTS MPI, PAICS, TFEB KDM4E 3440/4885ALDH1A1 1961/4885MAPT 1103/4885

“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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