SCHEMBL3380931

SCHEMBL3380931

Cc1sc(=N)n(CCOc2ccccc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.41
APOBEC3A P31941 1/20 0.41
RECQL P46063 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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 SCHEMBL3382090 0.98 LMNA (0.50) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL3386346 0.75 CNR1 (0.44) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL11488081 0.73 ALDH1A1 (0.57) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL3418220 0.69 HPGD (0.49) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL1728403 0.68 RAB9A (0.59) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL942848 0.66 RGS4 (0.36) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL3206483 0.65 LMNA (0.63) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL9483010 0.65 MEN1 (0.61) LMNASMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL55954 0.64 KCNA3 (0.67) ALDH1A1RECQL
SCHEMBL27962 0.63 KCNA3 (0.82) ALDH1A1RECQL

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 LMNA 1606/4885SMN1; SMN2 2433/4885RAB9A 1297/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 LMNA 1150/4885SMN1; SMN2 2336/4885RAB9A 1315/4885

“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.