SCHEMBL19220604

SCHEMBL19220604

COC(=O)c1c(OCc2ccccc2)c(=O)c(C(C)=O)cn1C[C@@H]1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
KLK7 P49862 1/20 0.41
IL1B P01584 3/20 0.40
P2RX7 Q99572 2/20 0.40
KDM1A O60341 1/20 0.38
FKBP1A P62942 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PARP1 P09874 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GHSR Q92847 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
METTL3 Q86U44 1/20 0.36
YAP1 P46937 1/20 0.36

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
SCHEMBL19157589 0.96 PRMT5 (0.44) PRMT5KLK7IL1BP2RX7KDM1A
SCHEMBL10208482 0.78 KLK7 (0.48) PRMT5KLK7IL1BP2RX7KDM1A
SCHEMBL10188535 0.76 KLK7 (0.39) PRMT5KLK7MEN1KMT2APARP1
SCHEMBL10188526 0.76 KLK7 (0.40) PRMT5KLK7MEN1KMT2APARP1
SCHEMBL10188473 0.74 YAP1 (0.39) KLK7P2RX7GHSRYAP1
SCHEMBL19334633 0.72 KLK7 (0.39) PRMT5KLK7MEN1KMT2APARP1
SCHEMBL19276508 0.72 HPGD (0.42)
SCHEMBL21021008 0.72 HPGD (0.44) MEN1KMT2ACYP2C9CYP2C19
SCHEMBL6610814 0.71 DAGLA (0.54) PRMT5KLK7KDM1AFKBP1AMEN1
SCHEMBL20129716 0.71 DAGLA (0.54) PRMT5KLK7KDM1AFKBP1AMEN1

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
US-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2018-07-03 US disclosed
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 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 (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-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 PRMT5 1646/4885KLK7 1815/4885IL1B 3136/4885
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 PRMT5 1646/4885KLK7 1815/4885IL1B 3136/4885

“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.