SCHEMBL2632481

SCHEMBL2632481

COC(=O)c1c(C)ccc2[nH]c(=O)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.43
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
BCL6 P41182 1/20 0.39
BCOR Q6W2J9 1/20 0.39
MAPT P10636 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL24165536 0.84 KDM4E (0.46) NR4A2CYP1A2ALDH1A1KMT2AKDM4E
SCHEMBL2085775 0.72 GRM5 (0.51) NR4A2ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL13907978 0.72 BCL6 (0.45) CYP1A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL26977919 0.72 MAPK8 (0.47) NR4A2ALDH1A1KMT2AKDM4EHPGD
SCHEMBL3227967 0.71 PDE3B (0.45) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL18190480 0.70 GRIA1 (0.62) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL25250016 0.70 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL11468924 0.70 PDE3B (0.44) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL2222793 0.69 CA12 (0.42) NR4A2ALDH1A1KMT2AKDM4EHPGD
SCHEMBL4277677 0.69 CYP1A2 (0.41) NR4A2CYP1A2ALDH1A1KMT2AKDM4E

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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 NR4A2 1708/4885CYP1A2 445/4885ALDH1A1 1322/4885

“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.