SCHEMBL327503

SCHEMBL327503

c1ccc(CN(Cc2ccccn2)CC2CCCO2)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 4/20 0.64
POLB P06746 2/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
LIN28A Q9H9Z2 1/20 0.50
LMNA P02545 2/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
HPGD P15428 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 2/20 0.41
OXTR P30559 2/20 0.40
AVPR1A P37288 2/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL16373744 0.86 POLB (0.57) KMT2AMEN1ALDH1A1POLBPKM
SCHEMBL17788525 0.83 POLB (0.52) KMT2AMEN1ALDH1A1POLBPKM
SCHEMBL2752484 0.80 POLB (0.51) KMT2AMEN1ALDH1A1POLBPKM
SCHEMBL16606327 0.80 MAPT (0.58) KMT2AMEN1ALDH1A1POLBPKM
SCHEMBL28476929 0.77 OXTR (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL28473802 0.77 OXTR (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL28473805 0.77 OXTR (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL2128245 0.76 POLB (0.47) KMT2AMEN1ALDH1A1POLBPKM
SCHEMBL2130432 0.74 POLB (0.45) KMT2AMEN1ALDH1A1POLBPKM
SCHEMBL28485014 0.72 MAPT (0.44) KMT2AMEN1ALDH1A1POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133474-B2 Porphyrin chelate compound that may be complexed with zinc, manganese, magnesium, iron or aluminum; capable of insertion into cell; zinc, calcium, mercury, cadmium, and lead analytes; determining shift in signal; medical diagnosis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-13 US disclosed
US-20080138292-A1 Sensors for fluorescence and magnetic resonance imaging MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-06-12 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-20080138292-A1 Sensors for fluorescence and magnetic resonance imaging CA2, SLC30A6, SLC39A3 KMT2A 3742/4885MEN1 236/4885ALDH1A1 3462/4885

“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.