SCHEMBL4947147

SCHEMBL4947147

[CH2]CCC(Cc1ccc(CN=Cc2ccccc2)cc1)N(CCC)CCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA1 P00915 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
SIGMAR1 Q99720 6/20 0.38
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
BCHE P06276 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
SCHEMBL2204036 0.86 CA2 (0.41) CA2CA1SMN1; SMN2SIGMAR1MEN1
SCHEMBL4951705 0.78 MAPT (0.33) SMN1; SMN2SIGMAR1POLBGAAMAPT
SCHEMBL2204034 0.73 CA2 (0.42) CA2CA1SMN1; SMN2SIGMAR1BCHE
SCHEMBL15551980 0.71 CA2 (0.68) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL11586020 0.71 CA2 (0.68) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL77617 0.67 SMN1; SMN2 (0.67) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL715116 0.67 SMN1; SMN2 (0.67) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL77618 0.67 SMN1; SMN2 (0.67) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8550469 0.67 CA2 (0.58) CA2CA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4947145 0.66 CA2 (0.42) CA2CA1SMN1; SMN2SIGMAR1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 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-20080293951-A1 Amin Derivative, and Production Method and Use Thereof BCAT2, BCAT1, MRPL9 CA2 1761/4885CA1 3598/4885SMN1; SMN2 3667/4885

“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.