SCHEMBL5207078

SCHEMBL5207078

CNS(=O)(=O)Cc1ccc(NC(=O)CCc2oc(-n3ccnc3)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
MCHR1 Q99705 1/20 0.37
CD38 P28907 1/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
GLA P06280 1/20 0.35
PORCN Q9H237 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAOB P27338 2/20 0.34
YES1 P07947 1/20 0.34
KDR P35968 1/20 0.34
JAK3 P52333 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5212147 0.82 MAPT (0.39) CHRM1HTR2AMCHR1CD38MAPT
SCHEMBL5212143 0.79 CD38 (0.37) CHRM1HTR2AMCHR1CD38MAPT
SCHEMBL5211444 0.78 CYP11B1 (0.42) CD38MAPTMEN1KMT2ALMNA
SCHEMBL7464609 0.78 RXRA (0.46) CD38MAPTLMNAALDH1A1HPGD
SCHEMBL7459279 0.78 PKM (0.38) CD38MAPTMEN1KMT2ALMNA
SCHEMBL7457881 0.75 KDM4E (0.45) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL1361930 0.72 NOTUM (0.40) CD38
SCHEMBL5210064 0.71 MAPT (0.42) CHRM1HTR2AMCHR1MAPTMEN1
SCHEMBL14574469 0.70 KMT2A (0.49) CHRM1HTR2AMCHR1MAPTMEN1
SCHEMBL5211576 0.70 TNKS (0.39) MAPTMEN1KMT2ALMNAKDR

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 CHRM1 1679/4885HTR2A 1986/4885MCHR1 1777/4885

“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.