SCHEMBL12069260

SCHEMBL12069260

Cc1ccc(C(=O)NC(=S)NCCCN(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ ALOX12 P18054 2/20 0.69
▸ NPC1 O15118 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ ACKR3 P25106 1/20 0.60
▸ LMNA P02545 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ ACHE P22303 2/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.55
▸ SIRT1 Q96EB6 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HPGD P15428 1/20 0.53
▸ MAPT P10636 2/20 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
SCHEMBL12069946 0.87 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2ALOX12NPC1RAB9A
SCHEMBL12067871 0.86 SIRT1 (0.71) ALDH1A1SMN1; SMN2ALOX12NPC1RAB9A
SCHEMBL2120449 0.85 HPGD (0.70) ALDH1A1SMN1; SMN2NPC1RAB9AACKR3
SCHEMBL4629038 0.83 HPGD (0.53) ALDH1A1SMN1; SMN2ALOX12NPC1RAB9A
SCHEMBL24061013 0.81 HPGD (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AACKR3
SCHEMBL14679111 0.81 L3MBTL1 (0.67) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL11966135 0.80 L3MBTL1 (0.69) SMN1; SMN2NPC1RAB9ALMNAMAPK1
SCHEMBL14860849 0.79 SIRT1 (0.61) ALDH1A1SMN1; SMN2ALOX12NPC1RAB9A
SCHEMBL10020214 0.78 HPGD (0.79) ALDH1A1SMN1; SMN2NPC1RAB9AACKR3
SCHEMBL14859851 0.78 POLB (0.71) ALDH1A1SMN1; SMN2ALOX12NPC1RAB9A

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 7 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
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 ALDH1A1 1884/4885SMN1; SMN2 4357/4885ALOX12 2922/4885

“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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