SCHEMBL3382272

SCHEMBL3382272

Cc1nc(N)sc1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
CIT O14578 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
PDPK1 O15530 1/20 0.43
DAPK3 O43293 1/20 0.43
RIPK2 O43353 1/20 0.43
BUB1 O43683 1/20 0.43
CCNT1 O60563 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL21889868 0.81 PIK3CD (0.45) MAPTSMN1; SMN2NPC1RAB9AALOX15
SCHEMBL331556 0.78 FBP1 (0.42) FBP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3387296 0.76 PIK3CA (0.48) MAPTSMN1; SMN2PIK3CANUDT1PIK3CD
SCHEMBL20369891 0.75 PIK3CD (0.40) MAPTSMN1; SMN2PIK3CANUDT1PIK3CD
SCHEMBL6692832 0.71 AR (0.55) FBP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL17632140 0.71 SMN1; SMN2 (0.49) FBP1SMN1; SMN2PIK3CANUDT1GAA
SCHEMBL5875638 0.70 NOS1 (0.36) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL21889224 0.69 AOC3 (0.57) NPC1RAB9AALOX15PIK3CAPIK3CD
SCHEMBL2318723 0.69 NPC1 (0.52) FBP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11878852 0.69 CNR1 (0.60) MAPTSMN1; SMN2NPC1RAB9ATP53

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 9 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
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO 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 FBP1 1951/4885MAPT 2644/4885SMN1; SMN2 2433/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 FBP1 1983/4885MAPT 2717/4885SMN1; 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.