SCHEMBL3113740

SCHEMBL3113740

Cc1[nH]n(-c2ccc(NS(=O)(=O)c3cccc4ccccc34)cn2)c(=O)c1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
NR1I2 O75469 1/20 0.44
ALKBH3 Q96Q83 9/20 0.43
TSHR P16473 1/20 0.41
PGR P06401 1/20 0.41
KAT8 Q9H7Z6 1/20 0.40
PARP1 P09874 1/20 0.40
BRD4 O60885 1/20 0.40
F2 P00734 1/20 0.40
SGK1 O00141 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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 0.83 KDM4E (0.55) KDM4EALKBH3KAT8POLBMAPT
SCHEMBL3113813 0.82 KDM4E (0.53) KDM4ENR1I2ALKBH3KAT8BRD4
SCHEMBL3109033 0.81 PGR (0.53) KDM4EALKBH3PGRMAPTTDP1
SCHEMBL3119496 0.80 AR (0.50) KDM4EPGRMAPTTDP1L3MBTL1
SCHEMBL3125409 0.80 KDM4E (0.53) KDM4ENR1I2ALKBH3KAT8POLB
SCHEMBL13248891 0.78 MAPT (0.46) NR1I2TSHRPGRBRD4SGK1
SCHEMBL3121393 0.78 KDM4E (0.49) KDM4EALKBH3TSHRPGRKAT8
SCHEMBL15258736 0.74 KDM4E (0.53) KDM4EALKBH3KAT8POLBMAPT
SCHEMBL15258818 0.73 KDM4E (0.70) KDM4EALKBH3KAT8BRD4POLB
SCHEMBL2567565 0.72 KDM4E (0.55) KDM4EALKBH3KAT8POLBMAPT

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 4 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
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 1231/4885ALKBH3 2762/4885

“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.