SCHEMBL15809138

SCHEMBL15809138

O=Cc1ccc(Oc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.62
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ SOS1 Q07889 1/20 0.41
▸ CHEK2 O96017 4/20 0.41
▸ TRIM24 O15164 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ ERN1 O75460 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BCHE P06276 3/20 0.38
▸ ACHE P22303 3/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ MEN1 O00255 2/20 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
SCHEMBL7762056 0.87 LMNA (0.50) TDP1MAOAMAOBALDH1A1ERN1
SCHEMBL6142827 0.86 TDP1 (0.48) TDP1ALDH1A1SOS1CHEK2TRIM24
SCHEMBL8549679 0.85 TDP1 (0.52) TDP1ALDH1A1CHEK2TRIM24TYR
SCHEMBL25333237 0.84 TDP1 (0.56) TDP1ALDH1A1CHEK2LMNACYP1A2
SCHEMBL18957581 0.82 MAOA (0.46) TDP1MAOAMAOBALDH1A1TRIM24
SCHEMBL24512757 0.82 TDP1 (0.44) TDP1MAOAMAOBALDH1A1SOS1
SCHEMBL24512582 0.82 TDP1 (0.44) TDP1ALDH1A1SOS1TRIM24TYR
SCHEMBL3694921 0.82 MERTK (0.45) TDP1CHEK2LMNAMEN1KMT2A
SCHEMBL15096320 0.81 TDP1 (0.47) TDP1ALDH1A1TRIM24TYRTRIM33
SCHEMBL5175967 0.80 SOS1 (0.44) TDP1MAOAMAOBALDH1A1SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105263911-A Substituted [1,2,4] triazole and imidazole compounds BASF SE 2016-01-20 — — CN disclosed
US-20150351401-A1 SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS BASF SE (DE) 2015-12-10 — — US disclosed
EP-2935225-A1 SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS BASF SE (DE) 2015-10-28 — — EP disclosed
WO-2014095655-A1 SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS BASF SE (DE) 2014-06-26 — — WO disclosed
EP-2746260-A1 Substituted [1,2,4]triazole and imidazole compounds BASF SE (DE) 2014-06-25 — — EP disclosed
CN-102432566-B 2-(4-phenoxyphenyl)oxirane and preparation method and application thereof UNIV HUNAN 2013-09-04 — — CN disclosed
CN-102432566-A 2- (4-phenoxyphenyl) oxirane and preparation method and application thereof UNIV HUNAN 2012-05-02 — — CN 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-20150351401-A1 SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS CYP1B1, CYP4B1, COX4I1 TDP1 1077/4885MAOA 224/4885MAOB 132/4885

“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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