Sugi Predict

Sugi Predict / Compounds / SCHEMBL3385143

SCHEMBL3385143

SCHEMBL3385143

COCCn1c(=NC(=O)c2ccc(C)c(OC)c2)sc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.61
▸ KDM4E B2RXH2 11/20 0.61
▸ RAB9A P51151 6/20 0.61
▸ MAPT P10636 6/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ NPC1 O15118 4/20 0.61
▸ PKM P14618 1/20 0.56
▸ RXFP1 Q9HBX9 5/20 0.53
▸ TP53 P04637 2/20 0.53
▸ HPGD P15428 7/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ NPSR1 Q6W5P4 4/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ GAA P10253 2/20 0.49
▸ CNR1 P21554 2/20 0.48

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
SCHEMBL3385139 1.00 ALDH1A1 (0.61) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL3385072 0.88 RXFP1 (0.53) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL3385063 0.88 RXFP1 (0.53) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL3385318 0.85 RXFP1 (0.55) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL3385322 0.85 RXFP1 (0.55) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL3385198 0.83 PIM1 (0.55) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL3385205 0.83 PIM1 (0.55) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL3384510 0.82 KDM4E (0.56) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL3384512 0.82 KDM4E (0.56) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL3383574 0.82 CNR1 (0.55) ALDH1A1KDM4ERAB9AMAPTSMN1; 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 4 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
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 898/4885KDM4E 2095/4885RAB9A 1297/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 914/4885KDM4E 2535/4885RAB9A 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.