SCHEMBL3757532

SCHEMBL3757532

c1cnc2c(Cc3c[nH]cn3)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ GMNN O75496 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ MMP13 P45452 1/20 0.41

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
Hydrochloric Acid SCHEMBL7640753 0.76 P2RX7 (0.33) LMNAALOX15ALDH1A1
SCHEMBL3755874 0.73 KDM4E (0.40) TSHRKDM4EMAPTLMNAHIF1A
SCHEMBL2105196 0.73 EED (0.39) CYP3A4
SCHEMBL1154872 0.72 TSHR (0.55) MMP2TSHRKDM4EMAPTHTT
SCHEMBL30003476 0.72 TSHR (0.55) MMP2TSHRKDM4EMAPTHTT
SCHEMBL9407051 0.71 PAX8 (0.53) MMP2TSHRKDM4EMAPTHTT
Detomidine SCHEMBL7087060 0.71 ALDH1A1 (0.35) TSHRTP53CYP3A4CYP2D6ADRA1A
Detomidine SCHEMBL247340 0.71 ALDH1A1 (0.35) TSHRTP53CYP3A4CYP2D6ADRA1A
SCHEMBL8172779 0.71 KDM4E (0.52) MMP2TSHRKDM4EMAPTHTT
SCHEMBL1360579 0.71 TSHR (0.53) MMP2TSHRKDM4EMAPTHTT

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 12 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-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-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
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 — — US disclosed
EP-1791833-A2 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS Allergan, Inc. (US) 2007-06-06 — — EP disclosed
WO-2006036497-A2 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2006-04-06 — — WO disclosed
US-20060069144-A1 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. 2006-03-30 — — 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 (2 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-20060069144-A1 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ADRB2, ADRA2C, ADRA2A MMP2 3256/4885TSHR 460/4885KDM4E 2607/4885
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A MMP2 4204/4885TSHR 293/4885KDM4E 3132/4885

“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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