Sugi Predict

Sugi Predict / Compounds / SCHEMBL217817

SCHEMBL217817

SCHEMBL217817

O=C(NCCc1ccccc1)c1ccc2n(c1=O)CCc1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ RAB9A P51151 9/20 0.52
▸ NPC1 O15118 8/20 0.52
▸ SMN1; SMN2 Q16637 8/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.52
▸ TNKS O95271 2/20 0.47
▸ HSD17B10 Q99714 5/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HPGD P15428 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 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
SCHEMBL2736547 0.89 CYP1A2 (0.50) KDM4EALDH1A1HTTMAPTCYP1A2
SCHEMBL13594205 0.88 ALDH1A1 (0.45) KDM4EALDH1A1HTTMAPTRAB9A
SCHEMBL215395 0.79 SERPINE1 (0.39) KDM4EALDH1A1HTTMAPTRAB9A
SCHEMBL2736549 0.76 RAB9A (0.55) KDM4EALDH1A1HTTMAPTRAB9A
SCHEMBL216474 0.75 BRD4 (0.42) KDM4EALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL11395532 0.72 ASAH1 (0.50) KDM4EALDH1A1HTTMAPTRAB9A
SCHEMBL2736494 0.71 CES1 (0.41) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL9336210 0.69 KDM4E (0.47) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL2736594 0.68 CNR2 (0.69) RAB9ANPC1SMN1; SMN2HSD17B10CYP1A2
SCHEMBL1867220 0.67 RAB9A (0.61) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2

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 21 patents — showing the first 20. 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-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 — — US disclosed
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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 — — 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
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 — — 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
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 — — US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 — — US 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 KDM4E 1679/4885ALDH1A1 3078/4885HTT 4572/4885
US-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 KDM4E 2840/4885ALDH1A1 4118/4885HTT 3822/4885
US-20060052411-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor CNR2, CNR1, NPY2R KDM4E 1228/4885ALDH1A1 2526/4885HTT 4670/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 KDM4E 3245/4885ALDH1A1 3580/4885HTT 2610/4885
US-20040082619-A1 Pyridone derivatives having affinity for cannabinoid 2-type receptor CNR1, CNR2, NPY1R KDM4E 590/4885ALDH1A1 3084/4885HTT 4689/4885

“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.