SCHEMBL3100616

SCHEMBL3100616

C#Cc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8028832 0.89 KMT2A (0.42) MAPTKMT2AMEN1GAATDP1
SCHEMBL6243535 0.82 MAPT (0.44) MAPTKMT2AMEN1GAAPKM
SCHEMBL12694260 0.80 L3MBTL1 (0.43) MAPTKMT2AMEN1HDAC8ALDH1A1
Hydrochloric Acid SCHEMBL8038931 0.79 MAPT (0.43) MAPTKMT2AMEN1GAAPKM
SCHEMBL16746567 0.79 CA2 (0.43) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL3109789 0.77 ALDH1A1 (0.44) MAPTLMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL560649 0.76 EGFR (0.41) MAPTGAAALDH1A1POLB
SCHEMBL15665690 0.76 GSTP1 (0.47) MAPTKMT2AMEN1GAAPOLB
SCHEMBL2006984 0.75 KMT2A (0.41) MAPTKMT2AMEN1GAAPKM
SCHEMBL1099561 0.74 ALDH1A1 (0.52) MAPTKMT2AMEN1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211705-B2 Electrical detection and quantification of mercuric derivatives COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-07-03 US disclosed
US-8211705-B2 Electrical detection and quantification of mercuric derivatives COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-07-03 US disclosed
US-8211705-B2 Electrical detection and quantification of mercuric derivatives COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-07-03 US disclosed
US-20100255593-A1 Electrical Detection and Quantification of Mercuric Derivatives COMMISSARIAT A L'ENERGIE ATOMIQUE 2010-10-07 US disclosed
US-20100255593-A1 Electrical Detection and Quantification of Mercuric Derivatives COMMISSARIAT A L'ENERGIE ATOMIQUE 2010-10-07 US disclosed
US-20100255593-A1 Electrical Detection and Quantification of Mercuric Derivatives COMMISSARIAT A L'ENERGIE ATOMIQUE 2010-10-07 US disclosed
EP-2230510-A1 Electrical detection and quantification of mercury derivatives Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2010-09-22 EP disclosed
US-20100152338-A1 NONLINEAR OPTICAL MATERIAL COMPOSITION AND METHOD OF MANUFACTURE NITTO DENKO CORPORATION (JP) 2010-06-17 US disclosed
WO-2008109701-A1 NONLINEAR OPTICAL MATERIAL COMPOSITION AND METHOD OF MANUFACTURE NITTO DENKO CORPORATION (JP) 2008-09-12 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-20100152338-A1 NONLINEAR OPTICAL MATERIAL COMPOSITION AND METHOD OF MANUFACTURE C5, OR10J3, C1S MAPT 4593/4885KMT2A 1960/4885MEN1 4278/4885

“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.