SCHEMBL3386303

SCHEMBL3386303

COCCn1c(=N)sc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.54
RAB9A P51151 9/20 0.48
NPC1 O15118 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
TSHR P16473 4/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 7/20 0.45
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
HPGD P15428 2/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
Bromide SCHEMBL964193 0.98 F12 (0.53) F12RAB9ANPC1SMN1; SMN2TSHR
Bromide SCHEMBL964455 0.91 F12 (0.51) F12RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL30194878 0.81 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2TSHRLMNA
Bromide SCHEMBL27763430 0.80 F12 (0.46) F12RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL961718 0.79 NPSR1 (0.42) F12RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL967835 0.79 NPSR1 (0.53) SMN1; SMN2TSHRLMNAALDH1A1TP53
Iodide SCHEMBL965881 0.79 F12 (0.56) F12RAB9ANPC1ALDH1A1CYP3A4
SCHEMBL11211190 0.78 F12 (0.55) F12TSHRALDH1A1L3MBTL1CYP3A4
Bromide SCHEMBL3387300 0.78 NPSR1 (0.52) SMN1; SMN2TSHRLMNAALDH1A1TP53
Bromide SCHEMBL3998621 0.78 RAB9A (0.43) F12RAB9ANPC1SMN1; SMN2TSHR

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 7 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
EP-2038266-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-03-25 EP disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 US disclosed
WO-2007140385-A2 THIAZOLE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 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 (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 F12 360/4885RAB9A 1297/4885NPC1 523/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 F12 358/4885RAB9A 1315/4885NPC1 486/4885

“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.