SCHEMBL14860303

SCHEMBL14860303

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 8/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ LMNA P02545 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HPGD P15428 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SIRT2 Q8IXJ6 5/20 0.49
▸ SIRT3 Q9NTG7 1/20 0.48
▸ HDAC4 P56524 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALOX12 P18054 1/20 0.47

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 0.87 NPC1 (0.60) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL2348633 0.80 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL12067341 0.80 SIRT1 (0.71) SIRT1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL16666377 0.78 EPHX1 (0.63) SIRT1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL14095973 0.78 SIRT1 (0.59) SIRT1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL28662121 0.77 SIRT1 (0.68) SIRT1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL14860028 0.77 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL28330745 0.77 SMN1; SMN2 (0.78) SIRT1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2350394 0.77 ALDH1A1 (0.59) SIRT1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2348653 0.77 SIRT1 (0.57) SIRT1ALDH1A1SMN1; SMN2LMNAMAPT

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 SIRT1 2481/4885ALDH1A1 1884/4885SMN1; 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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