SCHEMBL217875

SCHEMBL217875

COc1c(-c2nnnn2-c2ccccc2)c(C)c(C)n(Cc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.42
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.38
ELANE P08246 1/20 0.38
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL2736481 0.83 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TSHRMAPT
SCHEMBL217059 0.72 KMT2A (0.47) ALDH1A1LMNASMN1; SMN2TSHRGAA
SCHEMBL11536760 0.68 ALDH1A1 (0.65) ALDH1A1LMNASMN1; SMN2TSHRGAA
SCHEMBL3587556 0.64 NPC1 (0.56) ALDH1A1LMNASMN1; SMN2GAAPOLB
SCHEMBL218308 0.64 CNR2 (0.48) ALDH1A1LMNASMN1; SMN2TSHRKMT2A
SCHEMBL13530925 0.63 SMN1; SMN2 (0.42) ALDH1A1LMNASMN1; SMN2GAAMAPT
SCHEMBL28107112 0.63 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2TSHRMAPT
SCHEMBL4705653 0.62 CYP19A1 (0.59) ALDH1A1LMNASMN1; SMN2TSHRMAPT
SCHEMBL18496468 0.62 ALDH1A1 (0.48) ALDH1A1LMNAMAPTHSD17B10KDM4E
SCHEMBL7821723 0.61 LMNA (0.50) ALDH1A1LMNASMN1; SMN2TSHRMAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
EP-1357111-B1 2-PYRIDONE DERIVATIVES HAVING AFFINITY FOR CANNABINOID TYPE 2 RECEPTOR SHIONOGI & CO (JP) 2009-08-05 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor TADA YUKIO 2006-03-09 US disclosed
US-6977266-B2 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2005-12-20 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor SHIONOGI & CO., LTD. (JP) 2004-04-29 US disclosed
EP-1357111-A1 PYRIDONE DERIVATIVE HAVING AFFINITY FOR CANNABINOID 2-TYPE RECEPTOR SHIONOGI & CO., LTD. (JP) 2003-10-29 EP 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 (5 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R ALDH1A1 3078/4885LMNA 3511/4885SMN1; SMN2 4652/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 ALDH1A1 4118/4885LMNA 4521/4885SMN1; SMN2 3763/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R ALDH1A1 2526/4885LMNA 2831/4885SMN1; SMN2 4681/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 ALDH1A1 3580/4885LMNA 4604/4885SMN1; SMN2 3366/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R ALDH1A1 3084/4885LMNA 2809/4885SMN1; SMN2 4647/4885

“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.