SCHEMBL14860305

SCHEMBL14860305

CC(C)(C)c1ccc(C(=O)N(S)C(=O)Nc2ccnc(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 7/20 0.45
▸ SMARCA4 P51532 6/20 0.45
▸ AR P10275 1/20 0.43
▸ HDAC4 P56524 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL14051567 0.82 NPC1 (0.60) SMARCA2SMARCA4HDAC4NPC1RAB9A
SCHEMBL14860477 0.81 KCNK9 (0.50) NPC1RAB9ASMN1; SMN2KCNK9GAA
SCHEMBL14859296 0.81 NR1H4 (0.54) NPC1RAB9ASMN1; SMN2TRPV1MAPT
SCHEMBL14860029 0.78 CNR1 (0.52) NPC1RAB9ASMN1; SMN2KCNK9GAA
SCHEMBL14860007 0.77 KCNK9 (0.54) NPC1RAB9ASMN1; SMN2TRPV1KCNK9
SCHEMBL14860198 0.77 KCNK3 (0.60) NPC1RAB9ASMN1; SMN2KCNK9TP53
SCHEMBL14859726 0.77 NLRP3 (0.55) NPC1RAB9ASMN1; SMN2KCNK9TP53
SCHEMBL14860303 0.76 SIRT1 (0.51) HDAC4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14859930 0.75 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TRPV1TP53
SCHEMBL14859364 0.74 RAB9A (0.68) NPC1RAB9ASMN1; SMN2TP53MAPT

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 SMARCA2 3473/4885SMARCA4 3354/4885AR 4675/4885

“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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