SCHEMBL10148831

SCHEMBL10148831

C=Cc1ccc(/C(=N\CC)NCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NAMPT P43490 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
SCHEMBL18229944 1.00 TAS1R3 (0.41) TAS1R3TAS1R1ALDH1A1KDM4EPKM
SCHEMBL524069 1.00 TAS1R3 (0.41) TAS1R3TAS1R1ALDH1A1KDM4EPKM
SCHEMBL22291993 0.85 TAS1R3 (0.42) TAS1R3TAS1R1ALDH1A1KDM4EPKM
SCHEMBL3077142 0.79 L3MBTL1 (0.38) ALDH1A1TDP1SMN1; SMN2
SCHEMBL4035792 0.77 CYP3A4 (0.31)
SCHEMBL4035794 0.77 CYP3A4 (0.31)
SCHEMBL12348342 0.77 ALDH1A1 (0.40) ALDH1A1KDM4E
SCHEMBL3064720 0.77 ATM (0.41) ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL3064719 0.77 ATM (0.41) ALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL17289201 0.76 TAS1R3 (0.41) TAS1R3TAS1R1ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730986-B2 Molecularly imprinted polymers PHASE HOLOGRAPHIC IMAGING PHI AB (SE) 2020-08-04 US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
EP-2391658-B1 MOLECULARLY IMPRINTED POLYMERS COMMW SCIENT IND RES ORG (AU) 2015-09-23 EP disclosed
US-20130171066-A1 POLYMERIC COMPLEMENTS TO A B-AMYLOID PEPTIDES SELLERGREN BOERJE (DE) 2013-07-04 US disclosed
US-20130171066-A1 POLYMERIC COMPLEMENTS TO A B-AMYLOID PEPTIDES SELLERGREN BOERJE (DE) 2013-07-04 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 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 (3 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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 TAS1R3 1904/4885TAS1R1 2936/4885ALDH1A1 1036/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 TAS1R3 1904/4885TAS1R1 2936/4885ALDH1A1 1036/4885
US-10730986-B2 Molecularly imprinted polymers SIGLEC7, CD44, MPI TAS1R3 1511/4885TAS1R1 1723/4885ALDH1A1 1071/4885

“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.