SCHEMBL16474308

SCHEMBL16474308

CS(=O)(=O)Nc1ccccc1C(=O)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.62
KMT2A Q03164 3/20 0.61
CCR9 P51686 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 4/20 0.47
HTT P42858 3/20 0.47
ALOX15 P16050 1/20 0.47
GLO1 Q04760 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK10 P53779 1/20 0.45
RCE1 Q9Y256 1/20 0.44

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
SCHEMBL13483912 0.84 BDKRB1 (0.49) BDKRB1KMT2ACCR9ALDH1A1SMN1; SMN2
SCHEMBL10251853 0.83 BDKRB1 (0.74) BDKRB1KMT2ACCR9TSHRALDH1A1
SCHEMBL14076579 0.83 BDKRB1 (0.55) BDKRB1KMT2AALDH1A1KDM4EHTT
SCHEMBL8889074 0.82 KMT2A (0.80) KMT2ATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL7493986 0.79 BDKRB1 (0.65) BDKRB1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL12197933 0.77 BDKRB1 (0.83) BDKRB1KMT2ACCR9ALDH1A1KDM4E
SCHEMBL11708769 0.76 KMT2A (1.00) BDKRB1KMT2ATSHRHSD17B10ALDH1A1
SCHEMBL16474305 0.75 KMT2A (0.68) BDKRB1KMT2ATSHRHSD17B10ALDH1A1
SCHEMBL12143400 0.74 KMT2A (0.55) BDKRB1KMT2AALDH1A1KDM4E
SCHEMBL16474313 0.74 KMT2A (0.71) BDKRB1KMT2ACCR9TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9035096-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-19 US disclosed
US-20140107160-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-17 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 (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-20140107160-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 BDKRB1 81/4885KMT2A 4473/4885CCR9 1/4885

“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.