SCHEMBL3125409

SCHEMBL3125409

CCCc1ccc(S(=O)(=O)Nc2ccc(-n3[nH]c(C)c(Cc4ccccc4)c3=O)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
NR1I2 O75469 1/20 0.46
KIT P10721 1/20 0.42
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALKBH3 Q96Q83 8/20 0.41
KAT8 Q9H7Z6 1/20 0.40
MT-CO1 P00395 1/20 0.40
MT-CO2 P00403 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 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
SCHEMBL3112565 0.90 KDM4E (0.55) KDM4EMAPTPOLBTDP1L3MBTL1
SCHEMBL3113813 0.88 KDM4E (0.53) KDM4ENR1I2MAPTPOLBTDP1
SCHEMBL3109033 0.83 PGR (0.53) KDM4EKITMAPTTDP1ALKBH3
SCHEMBL3121393 0.83 KDM4E (0.49) KDM4EMAPTPOLBTDP1L3MBTL1
SCHEMBL3119496 0.82 AR (0.50) KDM4EMAPTTDP1L3MBTL1KMT2A
SCHEMBL3113740 0.80 KDM4E (0.53) KDM4ENR1I2MAPTPOLBTDP1
SCHEMBL15258736 0.79 KDM4E (0.53) KDM4EMAPTPOLBTDP1ALKBH3
SCHEMBL13248876 0.78 KIT (0.51) KDM4ENR1I2KITMAPTATM
SCHEMBL2567565 0.75 KDM4E (0.55) KDM4EMAPTPOLBTDP1L3MBTL1
SCHEMBL15258816 0.74 KDM4E (0.56) KDM4EMAPTPOLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS ASTRAZENECA AB (SE) 2010-07-15 US disclosed
US-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS ASTRAZENECA AB (SE) 2010-07-15 US disclosed
US-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS ASTRAZENECA AB (SE) 2010-07-15 US disclosed
EP-1919890-A1 PYRAZOLONE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS AstraZeneca AB (SE) 2008-05-14 EP disclosed
WO-2007020426-A1 PYRAZOLONE DERIVATIVES FOR THE TREATMENT OF TUBERCULOSIS ASTRAZENECA AB (SE) 2007-02-22 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-20100179161-A1 PYRAZOLINE DERIVATIVES FOR THE TREATMENT OF TURBERCULOSIS TREH, TYMP, EPX KDM4E 4245/4885NR1I2 1231/4885KIT 1730/4885

“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.