SCHEMBL1627995

SCHEMBL1627995

Cn1ccnc1CN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LIN28A Q9H9Z2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TERT O14746 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 3/20 0.40
KCNA5 P22460 1/20 0.40
TSHR P16473 1/20 0.39
CXCR4 P61073 2/20 0.39
APP P05067 1/20 0.38

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
SCHEMBL1628456 1.00 MAPT (0.54) MAPTSMN1; SMN2LIN28ATDP1TERT
SCHEMBL12722530 0.94 TDP1 (0.65) MAPTSMN1; SMN2LIN28ATDP1TERT
SCHEMBL13924708 0.94 TDP1 (0.65) MAPTSMN1; SMN2LIN28ATDP1TERT
SCHEMBL12087481 0.88 TDP1 (0.56) MAPTSMN1; SMN2LIN28ATDP1TERT
SCHEMBL18997980 0.86 CYP2D6 (0.52) MAPTSMN1; SMN2LIN28ATDP1TERT
SCHEMBL369262 0.83 TSHR (0.45) SMN1; SMN2KMT2AMEN1LMNATSHR
SCHEMBL138261 0.79 SMN1; SMN2 (0.83) MAPTSMN1; SMN2LIN28ATDP1TERT
SCHEMBL12087478 0.78 CYP3A4 (0.39) SMN1; SMN2KMT2AMEN1LMNATSHR
SCHEMBL14357958 0.77 MAPT (0.79) MAPTSMN1; SMN2LIN28ATDP1TERT
Hydrochloric Acid SCHEMBL9905725 0.77 SMN1; SMN2 (0.79) MAPTSMN1; SMN2LIN28ATDP1TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200179249-A1 METHODS AND KITS FOR REMOVING CALCULUS USING A NON-ENZYMATIC, HYDROGEN PEROXIDE DECOMPOSITION CATALYST SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2020-06-11 US disclosed
US-8951695-B2 Redox fuel cell with catholyte redox mediator ACAL ENERGY LIMITED (GB) 2015-02-10 US disclosed
US-8951695-B2 Redox fuel cell with catholyte redox mediator ACAL ENERGY LIMITED (GB) 2015-02-10 US disclosed
US-8951695-B2 Redox fuel cell with catholyte redox mediator ACAL ENERGY LIMITED (GB) 2015-02-10 US disclosed
EP-2238641-B1 REDOX FUEL CELLS ACAL ENERGY LTD (GB) 2012-09-05 EP disclosed
EP-2238641-B1 REDOX FUEL CELLS ACAL ENERGY LTD (GB) 2012-09-05 EP disclosed
US-20110091746-A1 FUEL CELLS ACAL ENERGY LIMITED (GB) 2011-04-21 US disclosed
US-20110091746-A1 FUEL CELLS ACAL ENERGY LIMITED (GB) 2011-04-21 US disclosed
US-20110091746-A1 FUEL CELLS ACAL ENERGY LIMITED (GB) 2011-04-21 US disclosed
EP-2238641-A1 FUEL CELLS Acal Energy Limited (GB) 2010-10-13 EP disclosed
WO-2009093080-A1 FUEL CELLS ACAL ENERGY LIMITED (GB) 2009-07-30 WO disclosed
WO-2009093080-A1 FUEL CELLS ACAL ENERGY LIMITED (GB) 2009-07-30 WO disclosed
WO-2009013313-A1 TOC DEGRADATION IN WASTEWATER USING TRANSITION METAL CATALYSTS HENKEL AG & CO. KGAA (DE) 2009-01-29 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-20200179249-A1 METHODS AND KITS FOR REMOVING CALCULUS USING A NON-ENZYMATIC, HYDROGEN PEROXIDE DECOMPOSITION CATALYST HAO2, LPO, HAO1 MAPT 4850/4885SMN1; SMN2 4863/4885LIN28A 4478/4885

“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.