SCHEMBL2014831

SCHEMBL2014831

Nc1cc(CCl)nc(CCl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSP90AB1 P08238 1/20 0.32
THRB P10828 1/20 0.31
ASIC3 Q9UHC3 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL26241408 0.89 NOS3 (0.45) SMN1; SMN2HIF1AKCNH2ALDH1A1HRH4
SCHEMBL9024100 0.77 SMN1; SMN2 (0.41) SMN1; SMN2HIF1AALDH1A1TDP1POLB
SCHEMBL6991110 0.74 SMN1; SMN2 (0.40) SMN1; SMN2CYP3A4TP53ALDH1A1TDP1
SCHEMBL3294816 0.74 SMN1; SMN2 (0.40) SMN1; SMN2HIF1ATDP1POLBAPEX1
SCHEMBL7274937 0.72 NOS2 (0.54) KCNH2ALDH1A1HRH4KDM4ETSHR
SCHEMBL10046577 0.72 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL2015524 0.72 GRIN2D (0.44) KCNH2ALDH1A1KDM4ETHRBASIC3
SCHEMBL10617507 0.72 HSP90AB1 (0.60) SMN1; SMN2HRH4KDM4EHSP90AB1
Hydrochloric Acid SCHEMBL10618220 0.70 HSP90AB1 (0.58) SMN1; SMN2HRH4KDM4EHSP90AB1
SCHEMBL7500196 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9486544-B2 Manganese chelates and their use as contrast agents in magnetic resonance imaging (MRI) GE HEALTHCARE AS (NO) 2016-11-08 US disclosed
US-9486544-B2 Manganese chelates and their use as contrast agents in magnetic resonance imaging (MRI) GE HEALTHCARE AS (NO) 2016-11-08 US disclosed
US-9486544-B2 Manganese chelates and their use as contrast agents in magnetic resonance imaging (MRI) GE HEALTHCARE AS (NO) 2016-11-08 US disclosed
EP-2512524-B1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2016-10-05 EP disclosed
EP-2512524-B1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2016-10-05 EP disclosed
EP-2512524-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE Healthcare AS (NO) 2012-10-24 EP disclosed
US-20120244081-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2012-09-27 US disclosed
US-20120244081-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2012-09-27 US disclosed
US-20120244081-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2012-09-27 US disclosed
WO-2011073371-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2011-06-23 WO disclosed
WO-2011073371-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2011-06-23 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-20120244081-A1 MANGANESE CHELATES AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) MAG, MPI, MB SMN1; SMN2 49/4885HIF1A 607/4885KCNH2 620/4885

“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.