SCHEMBL6061845

SCHEMBL6061845

N#Cc1ccc(-c2ccc(O)c(-c3nc4cc(C#N)ccc4[nH]3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 1/20 0.50
▸ DGAT1 O75907 1/20 0.45
▸ SOAT1 P35610 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ PKN1 Q16512 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ AMY1A P0DUB6 1/20 0.44
▸ CHEK2 O96017 2/20 0.42
▸ CDK5 Q00535 3/20 0.41
▸ CDK5R1 Q15078 3/20 0.41
▸ PRSS12 P56730 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ AR P10275 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ MMP3 P08254 1/20 0.38
▸ F7 P08709 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CSNK1D P48730 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
SCHEMBL6505960 0.91 RHEB (0.44) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL6508250 0.81 RHEB (0.47) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL6061276 0.81 RHEB (0.49) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL6513301 0.80 RHEB (0.44) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL6061802 0.80 RHEB (0.57) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL23540667 0.80 RHEB (0.48) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL8412123 0.80 RHEB (0.59) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL20982583 0.79 RHEB (0.70) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL8409891 0.75 CHEK2 (0.70) RHEBDGAT1SOAT1KCNH2PKN1
SCHEMBL3333407 0.74 RHEB (0.68) RHEBDGAT1SOAT1KCNH2PKN1

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-1682518-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-07-26 — — EP disclosed
US-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 — — US disclosed
WO-2005040132-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-05-06 — — WO 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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents DDT, DDC, DARS1 RHEB 412/4885DGAT1 193/4885SOAT1 663/4885

“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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