SCHEMBL18171809

SCHEMBL18171809

CC(C)(C)OC(=O)Cn1c(=O)n(CC(=O)OC(C)(C)C)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
NR1D1 P20393 1/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.38
ALOX5 P09917 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37

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
SCHEMBL26633067 0.84 CYP1A2 (0.64) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL31520624 0.82 CYP1A2 (0.49) CYP1A2ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18180381 0.80 CYP1A2 (0.66) CYP1A2MAPT
SCHEMBL18171826 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL18171783 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL18171825 0.78 GRM2 (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL18171779 0.78 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL3062365 0.77 HTR7 (0.47) CYP1A2ALDH1A1MAPTLMNANR1D1
SCHEMBL20589207 0.75 CNR2 (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL23357569 0.75 CYP1A2 (0.63) CYP1A2MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
EP-3286174-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 EP disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 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 (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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E CYP1A2 1544/4885ALDH1A1 2545/4885MEN1 4064/4885

“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.