SCHEMBL3384688

SCHEMBL3384688

COc1ccc(Cl)cc1C(=O)Nc1nc2c(s1)CCCC2

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.70
▸ TP53 P04637 4/20 0.70
▸ LMNA P02545 1/20 0.70
▸ KDM4E B2RXH2 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ KCNMA1 Q12791 1/20 0.56
▸ CFTR P13569 8/20 0.56
▸ GAA P10253 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ TSHR P16473 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL3643014 0.85 MAPT (0.58) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL15914524 0.84 TP53 (0.59) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL3639753 0.83 MAPT (0.54) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL31424514 0.78 MAPT (0.49) MAPTTP53LMNAALDH1A1HSD17B10
SCHEMBL945302 0.78 MAPT (0.52) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL31660039 0.76 POLQ (0.65) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL4916732 0.76 NPC1 (0.74) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL945105 0.76 RAB9A (0.71) MAPTTP53KDM4EALDH1A1HSD17B10
SCHEMBL944850 0.75 KCNMA1 (0.57) MAPTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL345091 0.75 KCNMA1 (0.67) MAPTLMNAKDM4EALDH1A1HSD17B10

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
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
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 MAPT 2644/4885TP53 3805/4885LMNA 1606/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 MAPT 2717/4885TP53 4195/4885LMNA 1150/4885

“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.

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