SCHEMBL3842264

SCHEMBL3842264

CCCc1c(C(=O)C(C)C)c2ccccc2n1Cc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TNF P01375 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX5AP P20292 1/20 0.43
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL29611861 0.88 ALOX5AP (0.47) CNR2ALDH1A1MEN1KMT2ATNF
SCHEMBL7421689 0.88 ALOX5AP (0.49) ALDH1A1MEN1KMT2ATNFKDM4E
SCHEMBL687131 0.88 ALOX5AP (0.47) CNR2ALDH1A1MEN1KMT2ATNF
SCHEMBL7417850 0.87 L3MBTL1 (0.40) CNR2ALDH1A1MEN1KMT2ATNF
SCHEMBL7427533 0.86 ALOX5AP (0.46) ALDH1A1MEN1KMT2AL3MBTL1ALOX5AP
SCHEMBL7417956 0.86 ALOX5AP (0.48) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL7477963 0.86 L3MBTL1 (0.39) CNR2ALDH1A1MEN1KMT2ATNF
SCHEMBL7707842 0.85 ALOX5AP (0.45) ALDH1A1MEN1KMT2AL3MBTL1ALOX5AP
SCHEMBL7420327 0.85 ALOX5AP (0.46) TNFKDM4ENOD2NOD1L3MBTL1
SCHEMBL7420140 0.85 SLC22A12 (0.53) ALDH1A1KDM4EALOX5AP

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-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-26 US disclosed
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-19 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-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADORA2A, PDE4A, PDE4D CNR2 256/4885ALDH1A1 1368/4885MEN1 1161/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 CNR2 415/4885ALDH1A1 1378/4885MEN1 3082/4885

“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.