SCHEMBL14860198

SCHEMBL14860198

Cc1cccc(NC(=O)N(S)C(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 2/20 0.60
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ KCNK9 Q9NPC2 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ NR1H4 Q96RI1 2/20 0.47
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HTT P42858 2/20 0.46

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
SCHEMBL14859726 0.88 NLRP3 (0.55) KCNK3MEN1KMT2AKCNK9SMN1; SMN2
SCHEMBL14860477 0.86 KCNK9 (0.50) KCNK3MEN1KMT2AKCNK9SMN1; SMN2
SCHEMBL14860007 0.85 KCNK9 (0.54) KCNK9SMN1; SMN2TP53THRBNR1H4
SCHEMBL14859296 0.84 NR1H4 (0.54) MEN1KMT2ASMN1; SMN2NR1H4RAB9A
SCHEMBL14860029 0.83 CNR1 (0.52) KCNK3MEN1KMT2AKCNK9SMN1; SMN2
SCHEMBL7293743 0.81 KCNK3 (0.86) KCNK3MEN1KMT2AKCNK9SMN1; SMN2
SCHEMBL14859138 0.80 NR1H4 (0.52) KCNK3MEN1KMT2ANR1H4RAB9A
SCHEMBL14859848 0.80 SMN1; SMN2 (0.52) KCNK3MEN1KMT2AKCNK9SMN1; SMN2
SCHEMBL14860305 0.77 SMARCA2 (0.45) KCNK9SMN1; SMN2TP53RAB9ANPC1
SCHEMBL14860314 0.76 NPC1 (0.50) MEN1KMT2ASMN1; SMN2TP53RAB9A

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 3 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
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 KCNK3 4343/4885MEN1 4110/4885KMT2A 2604/4885

“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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