SCHEMBL5209613

SCHEMBL5209613

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1cccc(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.38
HMOX1 P09601 1/20 0.38
HMOX2 P30519 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIN1 Q13526 2/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
ADRA2B P18089 2/20 0.36
NHERF1 O14745 1/20 0.36
GALK1 P51570 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5209295 0.91 CNR1 (0.37) CNR2MEN1KMT2AALDH1A1POLB
SCHEMBL5215192 0.90 PIN1 (0.43) POLBMAPTPIN1
SCHEMBL5211421 0.89 TNKS (0.42) CNR2MEN1KMT2AALDH1A1POLB
SCHEMBL5208205 0.85 TP53 (0.42) CNR2MEN1KMT2AALDH1A1POLB
SCHEMBL5210100 0.85 PTGDR2 (0.40) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL5211058 0.85 CNR1 (0.39) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5209280 0.85 NPC1 (0.41) CNR2ALDH1A1POLBSMN1; SMN2PIN1
SCHEMBL5207954 0.84 RAB9A (0.42) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL5215350 0.83 CNR1 (0.44) KMT2AALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL5211576 0.83 TNKS (0.39) CNR2MEN1KMT2AALDH1A1POLB

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 CNR2 26/4885MEN1 1626/4885KMT2A 680/4885

“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.