SCHEMBL7528740

SCHEMBL7528740

Cc1cccc(Cl)c1NC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
PTGS2 P35354 2/20 0.42
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CXCL8 P10145 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAOB P27338 1/20 0.37
CHRNA7 P36544 1/20 0.37
MAPK14 Q16539 2/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL429150 0.85 ALDH1A1 (0.42) KMT2AALDH1A1MEN1L3MBTL1MAPT
SCHEMBL2094079 0.85 ALDH1A1 (0.48) GAAKMT2AALDH1A1MEN1TDP1
SCHEMBL21533126 0.78 GRIA1 (0.44) GAACHRNA7RAPGEF4
SCHEMBL13623166 0.78 ALDH1A1 (0.46) KMT2AALDH1A1MEN1TDP1
SCHEMBL9840547 0.78 TSHR (0.39) GAAPTGS2KMT2AALDH1A1MEN1
SCHEMBL21461560 0.76 GAA (0.45) GAAPTGS2KMT2AALDH1A1MEN1
SCHEMBL16240433 0.76 TDP1 (0.40) GAAKMT2AALDH1A1MEN1TDP1
SCHEMBL27851425 0.76 ALDH1A1 (0.40) GAAPTGS2KMT2AALDH1A1MEN1
SCHEMBL9801002 0.74 PTGS2 (0.46) PTGS2KMT2AALDH1A1MEN1TDP1
SCHEMBL7536495 0.74 PTGS2 (0.46) PTGS2KMT2AALDH1A1MEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344357-A Thiazole-containing 2, 4-diaminopyrimidine compound and application thereof 南方医科大学 2024-07-16 CN claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-4034043-A PRODUCTION OF 2-AMINO-5-CHLORO-TOLUENE HYDROCHLORIDE CIBA-GEIGY CORPORATION (US) 1977-07-05 US claimed
CN-118344357-A Thiazole-containing 2, 4-diaminopyrimidine compound and application thereof 南方医科大学 2024-07-16 CN disclosed
CN-118344357-A Thiazole-containing 2, 4-diaminopyrimidine compound and application thereof 南方医科大学 2024-07-16 CN disclosed
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S'BIO PTE LTD (SG) 2010-04-22 US disclosed
US-20100016298-A1 Theramutein modulators HOUSEY GERAD M 2010-01-21 US disclosed
US-20080269262-A1 Blocking or activation of endogenous proteins variations rncoded by mutated gees HMI MEDICAL INNOVATIONS, LLC. 2008-10-30 US disclosed
WO-2008091681-A2 THERAMUTEIN MODULATORS HOUSEY GERARD M (US) 2008-07-31 WO disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
US-4034043-A PRODUCTION OF 2-AMINO-5-CHLORO-TOLUENE HYDROCHLORIDE CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed
US-4034043-A PRODUCTION OF 2-AMINO-5-CHLORO-TOLUENE HYDROCHLORIDE CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed
US-4034043-A PRODUCTION OF 2-AMINO-5-CHLORO-TOLUENE HYDROCHLORIDE CIBA-GEIGY CORPORATION (US) 1977-07-05 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 (3 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-20100016298-A1 Theramutein modulators TSG101, SERPINE1, PLAUR GAA 3394/4885PDK1 4435/4885PDK2 4617/4885
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT PAICS, HDAC5, HDAC4 GAA 561/4885PDK1 2071/4885PDK2 1272/4885
US-20080269262-A1 Blocking or activation of endogenous proteins variations rncoded by mutated gees SERBP1, SERPINA6, UBE2V1 GAA 2927/4885PDK1 4787/4885PDK2 4689/4885

“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.