SCHEMBL5208761

SCHEMBL5208761

N#Cc1ccc(NC(=O)CCc2oc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
MAPT P10636 3/20 0.39
RECQL P46063 1/20 0.39
TNKS O95271 1/20 0.38
RORC P51449 2/20 0.38
CNR1 P21554 1/20 0.38
LDHA P00338 1/20 0.38
CETP P11597 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NLRP3 Q96P20 1/20 0.37

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
SCHEMBL5211421 0.93 TNKS (0.42) POLBMAPTTNKSLMNA
SCHEMBL5215192 0.91 PIN1 (0.43) POLBMAPTTNKSCNR1CETP
SCHEMBL5215350 0.91 CNR1 (0.44) POLBMAPTTNKSCNR1LMNA
SCHEMBL5208205 0.89 TP53 (0.42) POLBMAPTTNKSCETPLMNA
SCHEMBL5207954 0.88 RAB9A (0.42) POLBMAPTTNKSLDHA
SCHEMBL5211475 0.87 MAPT (0.41) POLBMAPTRECQLTNKSLMNA
SCHEMBL5210100 0.87 PTGDR2 (0.40) POLBMAPTTNKSLMNA
SCHEMBL5211745 0.87 MAPT (0.41) POLBMAPTTNKSCNR1
SCHEMBL5212587 0.87 THRB (0.50) MAPTCETPLMNA
SCHEMBL5210803 0.87 AURKA (0.43) MAPTTNKSCETPLMNA

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 POLB 3507/4885MAPT 3958/4885RECQL 2724/4885

“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.