SCHEMBL3419178

SCHEMBL3419178

COCCn1c2c(sc1=N)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ADORA2B P29275 4/20 0.41
HTT P42858 2/20 0.41
RXFP1 Q9HBX9 3/20 0.40
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CASP7 P55210 2/20 0.32

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 SCHEMBL962536 0.98 CYP1A1 (0.47) ALDH1A1HSD17B10SMN1; SMN2MEN1MAPT
SCHEMBL5049693 0.97 SMN1; SMN2 (0.43) ALDH1A1HSD17B10SMN1; SMN2MEN1MAPT
Bromide SCHEMBL3386795 0.78 CYP1A1 (0.31) CYP1A1CYP1B1MAPK1ADORA2BHTT
Bromide SCHEMBL4940305 0.77 CYP1A1 (0.48) ALDH1A1HSD17B10SMN1; SMN2MEN1MAPT
SCHEMBL5047353 0.76 ADORA2B (0.33) ALDH1A1MAPK1ADORA2BHTTRGS4
SCHEMBL4938578 0.74 ALDH1A1 (0.59) ALDH1A1HSD17B10SMN1; SMN2MEN1MAPT
SCHEMBL19610233 0.73 CYP1A1 (0.61) ALDH1A1HSD17B10SMN1; SMN2MEN1MAPT
SCHEMBL6738331 0.70 CYP1A1 (0.45) ALDH1A1HSD17B10SMN1; SMN2MEN1MAPT
Bromide SCHEMBL4939908 0.69 CYP1A1 (0.46) ALDH1A1HSD17B10SMN1; SMN2MEN1MAPT
SCHEMBL22749443 0.69 SMN1; SMN2 (0.64) ALDH1A1HSD17B10SMN1; SMN2MEN1MAPT

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 ALDH1A1 898/4885HSD17B10 3341/4885SMN1; SMN2 2433/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 914/4885HSD17B10 3394/4885SMN1; 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.