SCHEMBL3383390

SCHEMBL3383390

COCCn1/c(=N/C(=O)c2cc(OC)ccc2Br)sc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.51
HPGD P15428 12/20 0.51
ALDH1A1 P00352 10/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
NPSR1 Q6W5P4 4/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MEN1 O00255 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPT P10636 5/20 0.49
GAA P10253 3/20 0.49
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.46

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
SCHEMBL3383394 1.00 KDM4E (0.51) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL3386336 0.83 PIM1 (0.58) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL3386342 0.83 PIM1 (0.58) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL3383551 0.80 RAB9A (0.55) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL3383559 0.80 RAB9A (0.55) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL3387213 0.79 RAB9A (0.55) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL3387209 0.79 RAB9A (0.55) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL3385101 0.78 KDM4E (0.51) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL3385105 0.78 KDM4E (0.51) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL3387461 0.78 NPSR1 (0.56) KDM4EHPGDALDH1A1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KDM4E 2095/4885HPGD 2262/4885ALDH1A1 898/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KDM4E 2535/4885HPGD 2066/4885ALDH1A1 914/4885

“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.