SCHEMBL19002791

SCHEMBL19002791

CCOC(=O)c1c(C)c(CC)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MAPT P10636 4/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
LMNA P02545 3/20 0.65
HPGD P15428 2/20 0.65
USP2 O75604 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
MAPK1 P28482 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
NMT2 O60551 1/20 0.57
NMT1 P30419 1/20 0.57

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
SCHEMBL19049355 0.91 MAPT (0.61) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL18997452 0.88 MAPT (0.59) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL19002792 0.86 MAPT (0.57) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL21900477 0.86 MAPT (0.57) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL21740777 0.86 MAPT (0.57) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL3234894 0.85 KDM4E (0.68) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL11075264 0.84 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL20669637 0.82 KDM4E (0.65) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL21940199 0.82 KDM4E (0.65) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL21940599 0.80 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885KDM4E 3392/4885SMN1; SMN2 4331/4885

“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.