SCHEMBL14859887

SCHEMBL14859887

CC(C)(C)c1ccc(C(=O)NC(=S)NCc2cccc(Cl)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.65
▸ LMNA P02545 4/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ ALOX12 P18054 2/20 0.65
▸ GAA P10253 1/20 0.65
▸ HPGD P15428 1/20 0.65
▸ NR1H4 Q96RI1 1/20 0.56
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ MITF O75030 1/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ KCNH2 Q12809 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52

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
SCHEMBL12069911 0.87 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2ALOX12GAA
SCHEMBL14860300 0.85 MEN1 (0.75) ALDH1A1LMNASMN1; SMN2ALOX12GAA
SCHEMBL14859531 0.81 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2ALOX12GAA
SCHEMBL2348633 0.79 SMN1; SMN2 (0.65) ALDH1A1LMNASMN1; SMN2ALOX12HPGD
SCHEMBL12067878 0.79 MEN1 (0.73) ALDH1A1LMNASMN1; SMN2ALOX12GAA
SCHEMBL14860243 0.78 ALDH1A1 (0.74) ALDH1A1LMNASMN1; SMN2ALOX12GAA
SCHEMBL14859888 0.77 NR1H4 (0.51) ALDH1A1LMNASMN1; SMN2NR1H4MEN1
SCHEMBL14860028 0.76 SMN1; SMN2 (0.61) ALDH1A1LMNASMN1; SMN2ALOX12HPGD
SCHEMBL12069264 0.76 POLB (0.78) ALDH1A1LMNASMN1; SMN2ALOX12GAA
SCHEMBL4028259 0.76 MEN1 (0.72) LMNAHPGDNR1H4MEN1KMT2A

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 1884/4885LMNA 4530/4885SMN1; 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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