SCHEMBL12067871

SCHEMBL12067871

CN(C)CCCNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 12/20 0.71
▸ SIRT2 Q8IXJ6 8/20 0.71
▸ ALDH1A1 P00352 4/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ SIRT3 Q9NTG7 1/20 0.63
▸ LMNA P02545 2/20 0.60
▸ TMEM97 Q5BJF2 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ ALOX12 P18054 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ HPGD P15428 2/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL14860849 0.91 SIRT1 (0.61) SIRT1SIRT2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL12069260 0.86 ALDH1A1 (0.69) SIRT1SIRT2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL13762068 0.86 TMEM97 (0.67) SIRT1SIRT2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL12069946 0.85 SMN1; SMN2 (0.68) SIRT1SIRT2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL14859651 0.81 ALDH1A1 (0.64) SIRT1SIRT2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL14865706 0.80 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2RAB9AMEN1MAPT
SCHEMBL14859619 0.79 ALDH1A1 (0.60) SIRT1SIRT2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2344164 0.79 ALDH1A1 (0.71) SIRT1SIRT2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL14859488 0.79 ALDH1A1 (0.64) SIRT1SIRT2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL14860324 0.78 ALDH1A1 (0.69) SIRT1SIRT2ALDH1A1SMN1; SMN2RAB9A

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
EP-2583962-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT Avixgen Inc. (KR) 2013-04-24 — — EP claimed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 — — US claimed
EP-2583962-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT Avixgen Inc. (KR) 2013-04-24 — — EP disclosed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 — — US disclosed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 — — US disclosed
WO-2011159137-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT (주)에빅스젠 (KR) 2011-12-22 — — WO 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-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT UGP2, TPMT, UPP1 SIRT1 2481/4885SIRT2 2933/4885ALDH1A1 1884/4885

“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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