SCHEMBL346059

SCHEMBL346059

Cc1ccc(F)c(CNC(=S)NCCO)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
POLB P06746 3/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7800153 0.85 PLA2G1B (0.46) KMT2AMEN1LMNAMAPTPKM
SCHEMBL7802502 0.84 MEN1 (0.54) KMT2AMEN1LMNAMAPTPKM
SCHEMBL7797826 0.82 MEN1 (0.43) KMT2AMEN1LMNAMAPTPKM
SCHEMBL7798588 0.82 MEN1 (0.43) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL11801903 0.82 KMT2A (0.61) KMT2AMEN1L3MBTL1LMNASMN1; SMN2
SCHEMBL7802366 0.82 ALDH1A1 (0.48) KMT2AMEN1MAPTPKMSMN1; SMN2
SCHEMBL7792548 0.80 CDK1 (0.54) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL7802391 0.80 USP28 (0.38) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL8351847 0.78 KMT2A (0.61) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL7792590 0.77 LMNA (0.40) KMT2AMEN1L3MBTL1LMNAMAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013074320-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2013-05-23 WO disclosed
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2012-04-05 US disclosed
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2012-04-05 US disclosed
EP-2428207-A1 Alpha-2B adrenergic receptor agonist and serotonin-norepinephrine reuptake inhibitor compositions for treating chronic pain Allergan, Inc. (US) 2012-03-14 EP disclosed
US-20100016355-A1 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN GIL DANIEL W 2010-01-21 US disclosed
US-20100016355-A1 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN GIL DANIEL W 2010-01-21 US disclosed
WO-2008079720-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATNG CHRONIC PAIN ALLERGAN, INC. (US) 2008-07-03 WO disclosed
WO-2008079728-A2 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2008-07-03 WO disclosed
US-20080153825-A1 ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN INC. 2008-06-26 US disclosed
US-20080153825-A1 ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN INC. 2008-06-26 US disclosed
US-20080153927-A1 ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20080153927-A1 ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN INC. 2008-06-26 US disclosed
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN INC. 2008-06-26 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 (6 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-20100016355-A1 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN ADRA2B, ADRA1B, ADRB1 KMT2A 3969/4885MEN1 4592/4885L3MBTL1 4377/4885
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ADRA2B, GPBAR1, MLNR KMT2A 3596/4885MEN1 4370/4885L3MBTL1 4742/4885
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 KMT2A 3155/4885MEN1 4815/4885L3MBTL1 4631/4885
US-20080153927-A1 ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ADRA2B, ADRA1B, CCKBR KMT2A 2843/4885MEN1 3282/4885L3MBTL1 4575/4885
US-20080153825-A1 ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS HTR2B, HTR4, HTR3B KMT2A 3835/4885MEN1 3438/4885L3MBTL1 4316/4885
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 KMT2A 3155/4885MEN1 4815/4885L3MBTL1 4631/4885

“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.