SCHEMBL13007441

SCHEMBL13007441

CC(SCCCN)=C1c2ccccc2N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
ALDH3A1 P30838 3/20 0.40
ALDH2 P05091 1/20 0.40
CHRM1 P11229 1/20 0.40
CES1 P23141 1/20 0.40
PRKAG1 P54619 5/20 0.40
PRKAA2 P54646 5/20 0.40
PRKAB1 Q9Y478 5/20 0.40
MAPT P10636 3/20 0.38
PKM P14618 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.38
P2RX1 P51575 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX4 Q99571 1/20 0.36
P2RX7 Q99572 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
LRRK2 Q5S007 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14459852 0.88 ALDH1A1 (0.41) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL2608513 0.84 ALDH1A1 (0.38) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL18642860 0.83 ALDH1A1 (0.43) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL10065848 0.81 ALDH1A1 (0.38) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL10028542 0.79 ALDH1A1 (0.47) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL13170509 0.77 PRKAG1 (0.35) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL16705069 0.75 KCNH2 (0.40) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL13911562 0.73 ALDH1A1 (0.40) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL10028496 0.73 ALDH1A1 (0.50) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL12584084 0.73 ALDH1A1 (0.50) ALDH1A1ALDH3A1ALDH2CHRM1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389298-B2 Methods using novel chemiluminescent labels LUMIGEN, INC. (US) 2013-03-05 US disclosed
US-20100317008-A1 Nonseparation Assay Methods BECKMAN COULTER, INC. (US) 2010-12-16 US disclosed
US-7799534-B2 Nonseparation assay methods BECKMAN COULTER, INC. (US) 2010-09-21 US disclosed
US-20100190271-A1 METHODS USING NOVEL CHEMILUMINESCENT LABELS LUMIGEN, INC. (US) 2010-07-29 US disclosed
US-20100173429-A1 METHODS USING NOVEL CHEMILUMINESCENT LABELS LUMIGEN, INC. (US) 2010-07-08 US disclosed
US-7732153-B2 Nonseparation assay methods BECKMAN COULTER, INC. (US) 2010-06-08 US disclosed
US-7682839-B2 Methods using novel chemiluminescent labels LUMIGEN, INC. (US) 2010-03-23 US disclosed
US-20070264665-A1 Nonseparation assay methods BECKMAN COULTER, INC. 2007-11-15 US disclosed
US-20070264664-A1 Nonseparation assay methods NEXGEN DIAGNOSTICS LLC 2007-11-15 US disclosed
US-20070172878-A1 Methods using novel chemiluminescent labels LUMIGEN, INC. 2007-07-26 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 (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-20070172878-A1 Methods using novel chemiluminescent labels HLCS, LANCL1, ACR ALDH1A1 71/4885ALDH3A1 5/4885ALDH2 119/4885

“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.