SCHEMBL15868699

SCHEMBL15868699

[2H]c1ccc2[nH]c3c(c2c1)CCNC3=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.79
HPGD P15428 2/20 0.79
HTT P42858 2/20 0.79
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
CYP1A2 P05177 1/20 0.79
CYP2C19 P33261 1/20 0.79
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
NCOA1 Q15788 2/20 0.52
NCOA3 Q9Y6Q9 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49

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
SCHEMBL797563 0.89 KDM4E (1.00) KDM4EHPGDHTTMEN1KMT2A
SCHEMBL6882020 0.80 KDM4E (0.81) KDM4EHPGDHTTMEN1KMT2A
SCHEMBL14259277 0.73 PRKD1 (0.66) KDM4EHPGDHTTMEN1KMT2A
SCHEMBL5263677 0.73 MAPT (0.69) KDM4EHPGDHTTMEN1KMT2A
SCHEMBL6350624 0.73 KDM4E (0.69) KDM4EHPGDHTTMEN1KMT2A
SCHEMBL6237719 0.73 KDM4E (0.69) KDM4EHPGDHTTMEN1KMT2A
SCHEMBL1655185 0.73 PRKD1 (0.84) KDM4EHPGDHTTMEN1KMT2A
SCHEMBL6241086 0.73 KDM4E (1.00) KDM4EHPGDHTTMEN1KMT2A
SCHEMBL940853 0.73 KDM4E (0.65) KDM4EHPGDHTTMEN1KMT2A
SCHEMBL2882593 0.73 KDM4E (0.65) KDM4EHPGDHTTMEN1KMT2A

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-20140194429-A1 COMPOSITIONS FOR TREATMENT OF CANCER NOVARX CORPORATION 2014-07-10 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-20140194429-A1 COMPOSITIONS FOR TREATMENT OF CANCER TP53, MCL1, CD44 KDM4E 3891/4885HPGD 917/4885HTT 3197/4885

“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.