SCHEMBL5906884

SCHEMBL5906884

O=C(O)C(Cc1ccccc1)Nc1cc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.48
MMP2 P08253 7/20 0.48
MMP9 P14780 5/20 0.48
ADAMTS4 O75173 1/20 0.48
ITGB1 P05556 5/20 0.47
ITGA4 P13612 5/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
HDAC1 Q13547 1/20 0.44
CASP1 P29466 1/20 0.43
KEAP1 Q14145 1/20 0.43

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
SCHEMBL5906886 1.00 KMO (0.48) KMOMMP2MMP9ADAMTS4ITGB1
SCHEMBL5906845 0.91 KMO (0.45) KMOITGB1ITGA4KDM4EMEN1
SCHEMBL5906849 0.91 KMO (0.45) KMOITGB1ITGA4KDM4EMEN1
SCHEMBL5906602 0.83 MME (0.50) ITGB1ITGA4KDM4EMEN1MAPT
SCHEMBL5906883 0.83 ITGB1 (0.53) ITGB1ITGA4KDM4EMEN1MAPT
SCHEMBL5906881 0.83 ITGB1 (0.53) ITGB1ITGA4KDM4EMEN1MAPT
SCHEMBL5906604 0.83 MME (0.50) ITGB1ITGA4KDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL5906878 0.82 CYP1A2 (0.53) ITGB1ITGA4KDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL5906880 0.82 CYP1A2 (0.53) ITGB1ITGA4KDM4EMEN1MAPT
SCHEMBL5906670 0.82 ITGB1 (0.55) MMP9ITGB1ITGA4MEN1KMT2A

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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BAYER HEALTHCARE AG (DE) 2006-04-27 US disclosed
CN-1735598-A Phenyl or heteroaryl amino alkane derivatives as IP receptor antagonist BAYER HEALTHCARE AG (DE) 2006-02-15 CN 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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BPHL, HRH4, HRH2 KMO 842/4885MMP2 2733/4885MMP9 3950/4885

“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.