SCHEMBL4821398

SCHEMBL4821398

c1csc(Cc2c[nH]cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ PNP P00491 2/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL7797453 0.74 MGMT (0.35) —
Hydrochloric Acid SCHEMBL7809520 0.72 MGMT (0.35) —
SCHEMBL349903 0.71 CYP11B1 (0.42) TDP1LMNASMN1; SMN2KDM4ERAB9A
SCHEMBL559559 0.71 TAAR1 (0.56) ADRA1DTDP1LMNATSHRTAAR1
SCHEMBL2752018 0.70 SMN1; SMN2 (0.46) ADRA1DTDP1LMNATSHRTAAR1
SCHEMBL346321 0.70 ADRA1D (0.49) ADRA1DLMNASMN1; SMN2KDM4EMEN1
SCHEMBL7797466 0.70 ALDH1A1 (0.31) SMN1; SMN2KMT2ARAB9A
SCHEMBL649075 0.69 ALDH1A1 (0.46) ADRA1DTDP1LMNATSHRTAAR1
SCHEMBL8447530 0.69 CYP2C9 (0.45) ADRA1DTDP1LMNATSHRTAAR1
SCHEMBL17595404 0.69 ALDH1A1 (0.43) TDP1SMN1; SMN2KDM4EMEN1KMT2A

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 42 patents — showing the first 20. 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
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
US-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2008-09-11 — — US disclosed
US-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2008-09-11 — — US disclosed
US-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2008-09-11 — — US disclosed
US-7399868-B2 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-15 — — US disclosed
US-7399868-B2 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-15 — — US disclosed
WO-1999051593-A1 4-THIONAPHTHYL-1H-IMIDAZOLES WITH ALPHA-2-ADRENERGIC ACTIVITY ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-10-14 — — WO disclosed
EP-0889891-A1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1999-01-13 — — EP disclosed
EP-0889891-A1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1999-01-13 — — EP disclosed
US-5750720-A ALPHA-ADRENORECEPTORS AND CENTRAL NERVOUS SYSTEMS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-05-12 — — US disclosed
WO-1997035858-A1 4-[(THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING α2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1997-10-02 — — WO disclosed
WO-1997035857-A1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1997-10-02 — — WO disclosed
WO-1997035857-A1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1997-10-02 — — WO disclosed
US-5621113-A ALPHA 2 ADRENOCEPTOR AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-04-15 — — US disclosed
US-5621113-A ALPHA 2 ADRENOCEPTOR AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-04-15 — — US disclosed
US-5621113-A ALPHA 2 ADRENOCEPTOR AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-04-15 — — 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 (3 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-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A ADRA1D 8/4885TDP1 1165/4885LMNA 3388/4885
US-20100016355-A1 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN ADRA2B, ADRA1B, ADRB1 ADRA1D 12/4885TDP1 2249/4885LMNA 2516/4885
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 ADRA1D 140/4885TDP1 3495/4885LMNA 3481/4885

“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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