SCHEMBL14860324

SCHEMBL14860324

CCCNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1.c1cc2ccc1-2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.69
▸ MAPT P10636 4/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.69
▸ RAB9A P51151 4/20 0.69
▸ HTT P42858 3/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ LMNA P02545 4/20 0.63
▸ ALOX12 P18054 4/20 0.53
▸ GAA P10253 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SIRT1 Q96EB6 2/20 0.49
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ HDAC3 O15379 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ ACHE P22303 1/20 0.47

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
SCHEMBL14859651 0.85 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL2344164 0.84 ALDH1A1 (0.71) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL14615882 0.80 RAB9A (0.68) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL14946919 0.79 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL14859224 0.78 ALDH1A1 (0.77) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL12067871 0.78 SIRT1 (0.71) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL14860309 0.77 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL14865706 0.76 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL14859488 0.76 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL25094351 0.74 RXRA (0.61) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1

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 4 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

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

“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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