SCHEMBL7797723

SCHEMBL7797723

Cc1ccccc1CNC(=S)NCCO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.45
GAA P10253 1/20 0.45
CHRM2 P08172 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX12 P18054 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7791617 0.84 KMT2A (0.51) L3MBTL1KMT2AALDH1A1HPGDLMNA
SCHEMBL8353226 0.84 KMT2A (0.51) L3MBTL1KMT2AALDH1A1HPGDLMNA
SCHEMBL20496906 0.81 HPGD (0.53) KMT2AALDH1A1HPGDLMNAMEN1
SCHEMBL11801903 0.81 KMT2A (0.61) L3MBTL1KMT2AALDH1A1HPGDLMNA
SCHEMBL8351847 0.80 KMT2A (0.61) L3MBTL1KMT2AHPGDLMNAMEN1
SCHEMBL7798114 0.80 LMNA (0.47) L3MBTL1KMT2AALDH1A1HPGDLMNA
SCHEMBL7797848 0.80 LMNA (0.47) L3MBTL1KMT2AALDH1A1HPGDLMNA
SCHEMBL12884376 0.80 LMNA (0.72) KMT2AALDH1A1HPGDLMNAMEN1
SCHEMBL340988 0.77 ALDH1A1 (0.65) L3MBTL1KMT2AALDH1A1LMNAMEN1
SCHEMBL5221050 0.77 CHRM2 (0.67) L3MBTL1ALDH1A1HPGDLMNAHTT

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 17 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-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 US 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
US-20110028523-A1 Selective Alpha 2B/2C Agonists ALLERGAN, INC. (US) 2011-02-03 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
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-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
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS 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 (7 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 L3MBTL1 4377/4885KMT2A 3969/4885ALDH1A1 515/4885
US-20110028523-A1 Selective Alpha 2B/2C Agonists ADRA2C, ADRA2B, ADRB2 L3MBTL1 4270/4885KMT2A 4074/4885ALDH1A1 1015/4885
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ADRA2B, GPBAR1, MLNR L3MBTL1 4742/4885KMT2A 3596/4885ALDH1A1 1028/4885
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 L3MBTL1 4631/4885KMT2A 3155/4885ALDH1A1 831/4885
US-20080153927-A1 ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ADRA2B, ADRA1B, CCKBR L3MBTL1 4575/4885KMT2A 2843/4885ALDH1A1 2024/4885
US-20080153825-A1 ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS HTR2B, HTR4, HTR3B L3MBTL1 4316/4885KMT2A 3835/4885ALDH1A1 2038/4885
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 L3MBTL1 4631/4885KMT2A 3155/4885ALDH1A1 831/4885

“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.