SCHEMBL13053107

SCHEMBL13053107

C=C(c1c[nH]cn1)c1cccc2nsnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.36
▸ HPGD P15428 5/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ TXNRD1 Q16881 1/20 0.34
▸ TXNRD3 Q86VQ6 1/20 0.34
▸ TXNRD2 Q9NNW7 1/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.33
▸ ATM Q13315 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ QPCT Q16769 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ NPC1 O15118 3/20 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
SCHEMBL3751633 0.74 PARP1 (0.46) KDM4EMAPTHIF1AALDH1A1SMN1; SMN2
SCHEMBL3417739 0.72 TSHR (0.41) ALDH1A1SMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL3976340 0.71 TRPA1 (0.32) ATMNPC1RAB9A
SCHEMBL3751615 0.71 L3MBTL1 (0.41) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL34464581 0.69 BCL2L1 (0.36) L3MBTL1KMT2AMEN1
SCHEMBL31285459 0.69 HTR1A (0.34) —
SCHEMBL13517417 0.69 KDM4E (0.43) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL3782517 0.69 NCF1 (0.38) KDM4EHSD17B10MAPTALDH1A1HPGD
SCHEMBL3755874 0.69 KDM4E (0.40) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL31285470 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838545-B2 4-(condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2010-11-23 — — US disclosed
US-7838545-B2 4-(condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2010-11-23 — — US disclosed
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2009-07-09 — — US disclosed
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2009-07-09 — — US disclosed
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 — — US disclosed
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 — — 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 (1 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-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A KDM4E 3132/4885HSD17B10 2409/4885MAPT 3172/4885

“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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