SCHEMBL14859574

SCHEMBL14859574

CC(C)(C)c1ccc(C(=O)N(S)C(=O)Nc2cccc3cccnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.52
▸ KDR P35968 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ GLO1 Q04760 1/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ PABPC1 P11940 1/20 0.48
▸ EIF4H Q15056 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL14859552 0.83 MEN1 (0.71) HDAC6MAPTL3MBTL1KMT2APOLB
SCHEMBL13762082 0.83 HDAC6 (0.73) HDAC6KDRMAPTTDP1TP53
SCHEMBL14859168 0.81 NLRP3 (0.53) MAPTGAAL3MBTL1KMT2APOLB
SCHEMBL14859930 0.78 NPC1 (0.51) MAPTTP53KMT2AKDM4ENPC1
SCHEMBL14859573 0.77 KMT2A (0.76) HDAC6KDRMAPTTDP1TP53
SCHEMBL14860018 0.77 TRPV1 (0.52) MAPTKMT2AKDM4ERAB9AMEN1
SCHEMBL14859134 0.76 NR1H4 (0.47) MAPTL3MBTL1KMT2AKDM4ENPC1
SCHEMBL14859659 0.76 MEN1 (0.46) MAPTGAAL3MBTL1KMT2APOLB
SCHEMBL21121496 0.74 TDP1 (0.66) HDAC6KDRMAPTTDP1TP53
SCHEMBL14859296 0.74 NR1H4 (0.54) HDAC6MAPTKMT2ANPC1RAB9A

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 HDAC6 3496/4885KDR 4693/4885MAPT 1529/4885

“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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