SCHEMBL3383463

SCHEMBL3383463

COCCn1c(=NC(=O)c2cc(Cl)ccc2O)sc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.54
KDM4E B2RXH2 7/20 0.54
NPSR1 Q6W5P4 4/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.54
POLB P06746 3/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.45
PIM1 P11309 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45

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
SCHEMBL3383462 1.00 HPGD (0.54) HPGDKDM4ENPSR1MAPTALDH1A1
SCHEMBL3385105 0.89 KDM4E (0.51) HPGDKDM4ENPSR1MAPTALDH1A1
SCHEMBL3385101 0.89 KDM4E (0.51) HPGDKDM4ENPSR1MAPTALDH1A1
SCHEMBL3383559 0.81 RAB9A (0.55) HPGDKDM4ENPSR1MAPTALDH1A1
SCHEMBL3383551 0.81 RAB9A (0.55) HPGDKDM4ENPSR1MAPTALDH1A1
SCHEMBL3386435 0.81 CNR2 (0.55) HPGDKDM4ENPSR1MAPTALDH1A1
SCHEMBL3386440 0.81 CNR2 (0.55) HPGDKDM4ENPSR1MAPTALDH1A1
SCHEMBL3387455 0.81 NPSR1 (0.56) HPGDKDM4ENPSR1MAPTALDH1A1
SCHEMBL3387461 0.81 NPSR1 (0.56) HPGDKDM4ENPSR1MAPTALDH1A1
SCHEMBL3387209 0.80 RAB9A (0.55) HPGDKDM4ENPSR1MAPTALDH1A1

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 4 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
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 HPGD 2262/4885KDM4E 2095/4885NPSR1 4/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 HPGD 2066/4885KDM4E 2535/4885NPSR1 4/4885

“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.