SCHEMBL5474116

SCHEMBL5474116

CC1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ LMNA P02545 4/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.55
▸ VCAM1 P19320 2/20 0.55
▸ NPBWR1 P48145 1/20 0.51
▸ MCHR1 Q99705 1/20 0.51
▸ CACNA1H O95180 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46

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
SCHEMBL3000167 0.89 ESR1 (0.60) ALDH1A1L3MBTL1TDP1LMNANPSR1
SCHEMBL5469148 0.82 LMNA (0.63) ALDH1A1L3MBTL1TDP1LMNANPSR1
SCHEMBL2693466 0.76 LMNA (0.81) ALDH1A1L3MBTL1TDP1LMNANPSR1
SCHEMBL5473761 0.75 KMT2A (0.70) ALDH1A1L3MBTL1VCAM1NPBWR1MCHR1
SCHEMBL8421007 0.75 LMNA (1.00) ALDH1A1L3MBTL1TDP1LMNANPSR1
SCHEMBL2692953 0.74 LMNA (0.77) ALDH1A1L3MBTL1TDP1LMNANPSR1
SCHEMBL5461646 0.74 L3MBTL1 (0.50) ALDH1A1L3MBTL1TDP1LMNANPSR1
SCHEMBL2985916 0.74 KMT2A (0.71) ALDH1A1L3MBTL1LMNAVCAM1NPBWR1
SCHEMBL2998796 0.73 KMT2A (0.67) ALDH1A1L3MBTL1LMNAVCAM1NPBWR1
SCHEMBL16169930 0.72 VCAM1 (0.65) ALDH1A1VCAM1NPBWR1MCHR1KMT2A

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
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 — — US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 — — US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 — — EP 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 ALDH1A1 1875/4885L3MBTL1 1747/4885TDP1 2393/4885

“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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