SCHEMBL14890146

SCHEMBL14890146

Fc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.78
LMNA P02545 6/20 0.78
ALDH1A1 P00352 6/20 0.78
TSHR P16473 2/20 0.73
CASP1 P29466 1/20 0.67
CASP7 P55210 1/20 0.67
TP53 P04637 2/20 0.63
CYP2D6 P10635 1/20 0.63
KCNH2 Q12809 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
HSD17B10 Q99714 2/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL14900390 0.86 MAPT (0.59) MAPTLMNAALDH1A1TSHRCASP1
SCHEMBL14889979 0.85 MAPT (0.82) MAPTLMNAALDH1A1TSHRCASP1
SCHEMBL14890182 0.82 GAA (0.76) MAPTLMNAALDH1A1TSHRCASP1
SCHEMBL10925857 0.81 ALDH1A1 (0.54) MAPTLMNAALDH1A1TSHRCASP1
SCHEMBL11626402 0.76 LMNA (0.59) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL23958379 0.74 CYP2D6 (0.92) MAPTLMNAALDH1A1TSHRCASP1
SCHEMBL10992668 0.74 MAPT (0.50) MAPTLMNAALDH1A1TSHRCASP1
SCHEMBL27324835 0.74 KCNH2 (0.72) MAPTLMNAALDH1A1TSHRCASP1
SCHEMBL14890282 0.74 NAMPT (0.56) MAPTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL26632300 0.74 MAPK1 (0.68) MAPTLMNAALDH1A1TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein DREXEL UNIVERSITY 2013-05-02 US claimed
US-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein DREXEL UNIVERSITY 2013-05-02 US disclosed
US-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein DREXEL UNIVERSITY 2013-05-02 US disclosed
US-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein DREXEL UNIVERSITY 2013-05-02 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-20130109698-A1 Small Molecule Inhibitors of Functions of the HIV-1 Matrix Protein SERPINB1, TIMP3, MIF MAPT 1521/4885LMNA 2227/4885ALDH1A1 3601/4885

“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.