SCHEMBL12067878

SCHEMBL12067878

Cc1ccc(CNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.73
▸ KMT2A Q03164 3/20 0.73
▸ POLB P06746 2/20 0.73
▸ ALDH1A1 P00352 5/20 0.65
▸ LMNA P02545 3/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ GAA P10253 1/20 0.65
▸ HPGD P15428 1/20 0.65
▸ ALOX12 P18054 1/20 0.65
▸ EPHX2 P34913 7/20 0.62
▸ NR1H4 Q96RI1 5/20 0.62
▸ RAB9A P51151 2/20 0.60
▸ MAPT P10636 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ HDAC3 O15379 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ MITF O75030 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57

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
SCHEMBL12069261 0.92 MEN1 (0.86) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL14860300 0.88 MEN1 (0.75) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL12049322 0.85 TRPV1 (0.62) —
SCHEMBL14860243 0.85 ALDH1A1 (0.74) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL14859303 0.85 KMT2A (0.75) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL12069911 0.85 ALDH1A1 (0.66) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL12069951 0.85 MEN1 (0.89) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL30538668 0.83 MEN1 (0.59) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL14859531 0.81 ALDH1A1 (0.61) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL2344164 0.80 ALDH1A1 (0.71) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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 MEN1 4110/4885KMT2A 2604/4885POLB 781/4885

“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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