SCHEMBL12995107

SCHEMBL12995107

CC(C)OC(=O)Nc1ccc(-c2c(-c3noc(C4CC4)n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
DGAT1 O75907 2/20 0.36
KDM4E B2RXH2 2/20 0.35
NAMPT P43490 1/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35

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
SCHEMBL12995280 0.96 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL12995106 0.92 P2RX3 (0.37) LMNAHTTMAPTNPY1RHRH3
SCHEMBL12995110 0.89 IDO1 (0.35) SMN1; SMN2NPY1RHRH3
SCHEMBL10096069 0.89 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL12995105 0.88 HRH3 (0.33) SMN1; SMN2MAPTNPY1RHRH3
SCHEMBL12995281 0.88 P2RX3 (0.36) LMNAHTTNPY1RHRH3
SCHEMBL12995108 0.88 NPY1R (0.36) NPY1RHRH3GRM5
SCHEMBL12995430 0.87 AURKA (0.38) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL12995109 0.86 HRH3 (0.35) ALDH1A1SMN1; SMN2LMNANPY1RHRH3
SCHEMBL13051541 0.86 HRH3 (0.38) SMN1; SMN2NPY1RHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (2 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885SMN1; SMN2 3609/4885GAA 667/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885SMN1; SMN2 3609/4885GAA 667/4885

“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.