SCHEMBL5212283

SCHEMBL5212283

CN(C)C(=O)Cc1ccc(NC(=O)CCc2oc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
TNKS O95271 1/20 0.38
MGLL Q99685 1/20 0.36
YES1 P07947 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PSD A5PKW4 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL5211934 0.93 MAPT (0.43) MAPTPOLBTNKSMGLLYES1
SCHEMBL5215720 0.91 MAPT (0.40) MAPTPOLBTNKSKDRRXFP1
SCHEMBL5211576 0.91 TNKS (0.39) MAPTPOLBTNKSMGLLKDR
SCHEMBL5210100 0.91 PTGDR2 (0.40) MAPTPOLBTNKSMGLLYES1
SCHEMBL5211421 0.91 TNKS (0.42) MAPTPOLBTNKSMGLLTHRB
SCHEMBL5211627 0.90 MAPT (0.43) MAPTPOLBTNKSMEN1KMT2A
SCHEMBL5212224 0.89 MAPT (0.43) MAPTPOLBTNKSTHRBRXFP1
SCHEMBL5215192 0.88 PIN1 (0.43) MAPTPOLBTNKSMGLL
SCHEMBL5207954 0.87 RAB9A (0.42) MAPTPOLBTNKSTHRBRXFP1
SCHEMBL5208205 0.86 TP53 (0.42) MAPTPOLBTNKSRXFP1MEN1

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 NUDT1 1702/4885MAPT 3958/4885POLB 3507/4885

“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.