SCHEMBL16252245

SCHEMBL16252245

CCCn1cc(Cn2ccc3c(-c4ccc(Cl)cc4)c(C(OC(C)(C)C)C(=O)OC)n(C)c(=O)c32)nn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 6/20 0.36
MAOB P27338 2/20 0.31
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KDM1A O60341 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL14823824 0.92 EP300 (0.33) EP300SLC6A2SLC6A4SLC6A3
SCHEMBL14810563 0.87 EP300 (0.33) EP300KDM1A
SCHEMBL14809783 0.83 EGLN1 (0.36) KMT2A
SCHEMBL14810102 0.81 MAPT (0.38) CYP2C9KMT2AGAA
SCHEMBL14809484 0.80 KDM4E (0.33) GAA
SCHEMBL16252243 0.78 CYP3A4 (0.36) KMT2A
SCHEMBL14809836 0.76 MAPT (0.36) KMT2A
SCHEMBL14809136 0.75 MAPT (0.37) CYP1A2KMT2A
SCHEMBL14809736 0.75 HTR1A (0.36) NPC1CYP1A2CYP2C19KMT2A
SCHEMBL14810594 0.74 CYP3A4 (0.36) MAOBNPC1KMT2A

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-9012642-B2 Pyrrolopyridinone compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-04-21 US disclosed
US-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-11-20 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-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV DHPS, PRNP, TYMP EP300 899/4885MAOB 3373/4885NPC1 1098/4885

“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.