SCHEMBL15045878

SCHEMBL15045878

COCCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.79
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.40
GRM2 Q14416 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
TNKS O95271 1/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
REN P00797 1/20 0.38

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
SCHEMBL15257691 0.91 CYP3A4 (0.75) CYP3A4SMN1; SMN2TP53MAPTGAA
SCHEMBL16492255 0.90 CYP3A4 (0.83) CYP3A4SMN1; SMN2TSHRTP53TNKS
SCHEMBL20769850 0.89 CYP3A4 (0.73) CYP3A4SMN1; SMN2TP53MAPTGAA
SCHEMBL29413237 0.88 CYP3A4 (1.00) CYP3A4SMN1; SMN2TSHRMAPTTNKS
SCHEMBL3822776 0.88 CYP3A4 (1.00) CYP3A4SMN1; SMN2TSHRMAPTTNKS
SCHEMBL15019760 0.88 CYP3A4 (0.82) CYP3A4TSHRTNKSCYP2D6MEN1
SCHEMBL9978089 0.86 CYP3A4 (0.60) CYP3A4TNKSCYP2D6
SCHEMBL9977927 0.81 CYP3A4 (0.87) CYP3A4TSHRMAPTTNKSCYP2D6
SCHEMBL20769902 0.81 CYP3A4 (0.62) CYP3A4SMN1; SMN2TP53MAPTGAA
SCHEMBL20769901 0.81 CYP3A4 (0.63) CYP3A4SMN1; SMN2TSHRTP53MAPT

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-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 US disclosed
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-09-25 US disclosed
US-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
WO-2013090420-A2 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-06-20 WO 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-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 CYP3A4 2263/4885SMN1; SMN2 2004/4885TSHR 2965/4885
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 CYP3A4 2263/4885SMN1; SMN2 2004/4885TSHR 2965/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 CYP3A4 2263/4885SMN1; SMN2 2004/4885TSHR 2965/4885

“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.