SCHEMBL14859848

SCHEMBL14859848

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ KCNK3 O14649 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ LMNA P02545 4/20 0.45
▸ KCNK9 Q9NPC2 3/20 0.45
▸ MAPK14 Q16539 1/20 0.44
▸ SMO Q99835 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL14860198 0.80 KCNK3 (0.60) SMN1; SMN2NPC1RAB9ATP53NFKB1
SCHEMBL4112132 0.77 KMT2A (0.62) SMN1; SMN2NPC1RAB9ATP53NFKB1
SCHEMBL14859118 0.76 KMT2A (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL12067851 0.75 ALDH1A1 (0.65) SMN1; SMN2NPC1RAB9ATP53NFKB1
SCHEMBL14859544 0.74 F2 (0.49) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL4118285 0.74 CA2 (0.64) SMN1; SMN2NPC1RAB9ATP53NFKB1
SCHEMBL14860314 0.73 NPC1 (0.50) SMN1; SMN2NPC1RAB9ATP53MEN1
SCHEMBL23367931 0.72 CYP1A2 (0.78) NPC1RAB9AKCNK3MEN1KMT2A
SCHEMBL5713541 0.72 THRB (0.51) SMN1; SMN2NPC1RAB9AKCNK3MEN1
SCHEMBL21620321 0.71 CYP1A2 (0.66) SMN1; SMN2NPC1RAB9ATP53NFKB1

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 SMN1; SMN2 4357/4885NPC1 1260/4885RAB9A 2456/4885

“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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