SCHEMBL3418222

SCHEMBL3418222

COCCN1C(c2ccccc2)=C(C)SC1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ATM Q13315 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ GAA P10253 3/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GLA P06280 1/20 0.33
▸ PTGER4 P35408 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
SCHEMBL3418172 0.88 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3386305 0.75 BCHE (0.41) SMN1; SMN2CYP2C9ALDH1A1HPGDATM
SCHEMBL5044112 0.67 KDM4E (0.35) ALDH1A1TDP1HPGDKDM4EGAA
SCHEMBL5047390 0.67 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1HPGDKDM4E
SCHEMBL5047349 0.66 ALDH1A1 (0.34) SMN1; SMN2LMNAALDH1A1HPGDATM
SCHEMBL5050834 0.64 DRD2 (0.37) SMN1; SMN2ALDH1A1TDP1HPGDATM
SCHEMBL3387042 0.63 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1TDP1HPGDKDM4E
SCHEMBL11326295 0.63 SMN1; SMN2 (0.40) SMN1; SMN2CYP2C9LMNAALDH1A1HPGD
SCHEMBL19960674 0.62 PARP1 (0.41) SMN1; SMN2CYP2C9LMNAALDH1A1HPGD
SCHEMBL5044110 0.62 ALDH1A1 (0.39) LMNAALDH1A1HPGDATMKDM4E

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 SMN1; SMN2 2433/4885CYP2C9 391/4885LMNA 1606/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 SMN1; SMN2 2336/4885CYP2C9 408/4885LMNA 1150/4885

“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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