SCHEMBL14865706

SCHEMBL14865706

CC(C)(C)c1ccc(C(=O)NC(=S)NCCCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.65
▸ ALOX12 P18054 4/20 0.65
▸ RAB9A P51151 5/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ MAPT P10636 2/20 0.63
▸ HTT P42858 1/20 0.63
▸ ESRRG P62508 2/20 0.60
▸ LMNA P02545 3/20 0.58
▸ GAA P10253 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ POLB P06746 2/20 0.54
▸ TMEM97 Q5BJF2 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54

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
SCHEMBL14859488 0.96 ALDH1A1 (0.64) ALDH1A1ALOX12RAB9ANPC1SMN1; SMN2
SCHEMBL14859224 0.92 ALDH1A1 (0.77) ALDH1A1ALOX12RAB9ANPC1SMN1; SMN2
SCHEMBL10480358 0.89 RAB9A (0.62) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL23068164 0.88 ALDH1A1 (0.83) ALDH1A1ALOX12RAB9ANPC1SMN1; SMN2
SCHEMBL14859851 0.87 POLB (0.71) ALDH1A1ALOX12RAB9ANPC1SMN1; SMN2
SCHEMBL14859533 0.84 SCN5A (0.70) ALDH1A1ALOX12RAB9ANPC1SMN1; SMN2
SCHEMBL15434970 0.80 ALDH1A1 (1.00) ALDH1A1ALOX12RAB9ANPC1SMN1; SMN2
SCHEMBL12067871 0.80 SIRT1 (0.71) ALDH1A1ALOX12RAB9ANPC1SMN1; SMN2
SCHEMBL27897896 0.80 ALDH1A1 (0.68) ALDH1A1ALOX12RAB9ANPC1SMN1; SMN2
SCHEMBL14859651 0.79 ALDH1A1 (0.64) ALDH1A1ALOX12RAB9ANPC1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1884/4885ALOX12 2922/4885RAB9A 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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