SCHEMBL3384510

SCHEMBL3384510

COCCn1/c(=N/C(=O)c2ccc(I)cc2)sc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 9/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KMT2A Q03164 4/20 0.56
RAB9A P51151 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MEN1 O00255 3/20 0.56
NPC1 O15118 3/20 0.56
POLB P06746 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
CNR1 P21554 3/20 0.55
CNR2 P34972 3/20 0.55
HPGD P15428 6/20 0.54
RXFP1 Q9HBX9 4/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 5/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL3384512 1.00 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3383574 0.88 CNR1 (0.55) KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3383572 0.88 CNR1 (0.55) KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3382294 0.88 HPGD (0.58) KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3382291 0.88 HPGD (0.58) KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3384617 0.87 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3384614 0.87 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3385322 0.85 RXFP1 (0.55) KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3385318 0.85 RXFP1 (0.55) KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3387209 0.84 RAB9A (0.55) KDM4EALDH1A1SMN1; SMN2KMT2ARAB9A

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 2095/4885ALDH1A1 898/4885SMN1; SMN2 2433/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KDM4E 2535/4885ALDH1A1 914/4885SMN1; SMN2 2336/4885

“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.