SCHEMBL3418172

SCHEMBL3418172

COCCN1C(c2ccc(Cl)cc2)=C(C)SC1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.37
▸ HPGD P15428 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ GPBAR1 Q8TDU6 3/20 0.34
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL3418222 0.88 SMN1; SMN2 (0.37) ALDH1A1L3MBTL1KDM4EHPGDGAA
SCHEMBL5044110 0.66 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4EHPGDHSD17B10
SCHEMBL5044112 0.65 KDM4E (0.35) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL5047390 0.65 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EHPGDHSD17B10
SCHEMBL5047349 0.65 ALDH1A1 (0.34) ALDH1A1L3MBTL1KDM4EHPGDHSD17B10
SCHEMBL3419179 0.63 KDM4E (0.33) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5050834 0.63 DRD2 (0.37) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL3918304 0.61 ALDH1A1 (0.36) ALDH1A1L3MBTL1KDM4EHPGDHSD17B10
SCHEMBL1126514 0.58 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EHPGDHSD17B10
SCHEMBL11568670 0.58 NPC1 (0.53) ALDH1A1KDM4EMAPTTSHRNPSR1

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 898/4885L3MBTL1 2791/4885KDM4E 2095/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 914/4885L3MBTL1 3128/4885KDM4E 2535/4885

“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.

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