SCHEMBL14859669

SCHEMBL14859669

CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.63
▸ LMNA P02545 5/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ HPGD P15428 2/20 0.63
▸ GAA P10253 1/20 0.63
▸ ALOX12 P18054 1/20 0.63
▸ RAB9A P51151 4/20 0.59
▸ HTT P42858 2/20 0.59
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ MAPT P10636 2/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPK14 Q16539 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CA2 P00918 1/20 0.50

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
SCHEMBL14859717 0.88 KMT2A (0.66) ALDH1A1LMNASMN1; SMN2HPGDRAB9A
SCHEMBL12042429 0.87 ALDH1A1 (0.73) ALDH1A1LMNASMN1; SMN2HPGDRAB9A
SCHEMBL5457322 0.87 RAB9A (0.76) ALDH1A1LMNASMN1; SMN2GAAALOX12
SCHEMBL12049587 0.82 ALDH1A1 (0.57) ALDH1A1HTTNPSR1
SCHEMBL5444784 0.81 RAB9A (0.66) ALDH1A1LMNASMN1; SMN2HPGDGAA
SCHEMBL14859928 0.79 RAB9A (0.75) ALDH1A1LMNASMN1; SMN2RAB9AHTT
SCHEMBL14860243 0.79 ALDH1A1 (0.74) ALDH1A1LMNASMN1; SMN2HPGDGAA
SCHEMBL14860134 0.78 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2HPGDGAA
SCHEMBL17886760 0.77 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2GAARAB9AHTT
SCHEMBL22063834 0.77 LMNA (0.67) ALDH1A1LMNASMN1; SMN2HPGDRAB9A

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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