SCHEMBL14859651

SCHEMBL14859651

CCCNCCCNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.64
▸ SMN1; SMN2 Q16637 7/20 0.64
▸ MAPT P10636 5/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ HTT P42858 2/20 0.64
▸ LMNA P02545 5/20 0.59
▸ ALOX12 P18054 4/20 0.54
▸ SIRT2 Q8IXJ6 1/20 0.52
▸ SIRT1 Q96EB6 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ DRD2 P14416 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC3 O15379 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49

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
SCHEMBL14860324 0.85 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL2344164 0.81 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL12067871 0.81 SIRT1 (0.71) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL14865706 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL14859488 0.78 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL14859224 0.75 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL14859652 0.75 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL12067852 0.75 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL3580293 0.74 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL12067845 0.74 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1

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
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

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 ALDH1A1 1884/4885SMN1; SMN2 4357/4885MAPT 1529/4885

“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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