SCHEMBL3358111

SCHEMBL3358111

O=C(O)c1c(OCc2ccccc2)c(=O)ccn1CC(COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ TBXAS1 P24557 4/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ AGER Q15109 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ CA1 P00915 1/20 0.36

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
SCHEMBL12371160 0.85 HTT (0.39) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL3358976 0.84 MEN1 (0.62) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL18233756 0.84 HTT (0.53) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL3361358 0.83 HTT (0.46) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL1359033 0.81 HTT (0.50) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL12397450 0.80 SMN1; SMN2 (0.52) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL1358153 0.80 HTT (0.52) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL3356971 0.79 SMN1; SMN2 (0.51) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL12239945 0.79 HTT (0.51) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL29062592 0.79 HTT (0.67) HTTSMN1; SMN2MEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200536-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2011-08-18 — — US disclosed
US-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS GE HEALTHCARE AS (NO) 2010-03-25 — — US disclosed
US-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS GE HEALTHCARE AS (NO) 2010-03-25 — — US disclosed
US-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS GE HEALTHCARE AS (NO) 2010-03-25 — — 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 (2 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-20110200536-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) TSPO, PML, AIP HTT 410/4885SMN1; SMN2 2492/4885MEN1 575/4885
US-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS PNPO, PGD, PDXK HTT 4051/4885SMN1; SMN2 2855/4885MEN1 694/4885

“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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