SCHEMBL962371

SCHEMBL962371

CCOC(=O)Cn1c(=N)sc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TP53 P04637 2/20 0.57
RECQL P46063 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 1/20 0.54
MITF O75030 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 3/20 0.54
KDM4E B2RXH2 6/20 0.53
HTT P42858 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 3/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47

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
Bromide SCHEMBL962370 0.99 ALDH1A1 (0.57) ALDH1A1TP53RECQLNPSR1MEN1
SCHEMBL4616232 0.84 TDP1 (0.67) ALDH1A1TP53RECQLNPSR1MEN1
SCHEMBL11088115 0.83 ALDH1A1 (0.58) ALDH1A1TP53RECQLNPSR1MEN1
SCHEMBL13650902 0.77 NPC1 (0.57) ALDH1A1TP53NPSR1MEN1MITF
SCHEMBL14807771 0.76 NPSR1 (0.67) ALDH1A1TP53RECQLNPSR1MEN1
SCHEMBL14807769 0.76 NPSR1 (0.67) ALDH1A1TP53RECQLNPSR1MEN1
SCHEMBL14807032 0.76 NPSR1 (0.67) ALDH1A1TP53RECQLNPSR1MEN1
SCHEMBL14807030 0.76 NPSR1 (0.67) ALDH1A1TP53RECQLNPSR1MEN1
SCHEMBL14807261 0.76 MAPT (0.75) ALDH1A1TP53RECQLNPSR1MEN1
SCHEMBL14807264 0.76 MAPT (0.75) ALDH1A1TP53RECQLNPSR1MEN1

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
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-20150011528-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OF ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2015-01-08 US disclosed
US-8858911-B2 Phosphodiesterase 1-targeting tracers and methods INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-14 US disclosed
EP-2758384-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OR ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Yuhan Corporation (KR) 2014-07-30 EP disclosed
WO-2013043001-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OR ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2013-03-28 WO disclosed
WO-2013043002-A1 IMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OR ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2013-03-28 WO disclosed
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
EP-2024349-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-02-18 EP disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 US disclosed
WO-2007140439-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO 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 (4 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-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 1171/4885TP53 4017/4885RECQL 4151/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 1171/4885TP53 4017/4885RECQL 4151/4885
US-20150011528-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OF ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ILK, PKMYT1, PLAUR ALDH1A1 3792/4885TP53 2326/4885RECQL 4417/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 ALDH1A1 81/4885TP53 3122/4885RECQL 1364/4885

“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.