SCHEMBL5207972

SCHEMBL5207972

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)N1CCS(=O)(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
POLB P06746 1/20 0.35
FGFR1 P11362 1/20 0.34
PLK1 P53350 1/20 0.34
TACR1 P25103 5/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5207233 0.95 POLB (0.37) POLBPLK1TACR1TNKSPARP1
SCHEMBL14609731 0.87 POLB (0.48) POLBTACR1KMT2A
SCHEMBL5213932 0.86 DPP4 (0.36) POLBFGFR1PLK1TACR1KMT2A
SCHEMBL14609744 0.86 MKNK1 (0.39) POLBTACR1TNKSPARP1PARP2
SCHEMBL5212400 0.85 TACR1 (0.39) POLBTACR1TNKSPARP1PARP2
Hydrochloric Acid SCHEMBL5207599 0.85 MKNK1 (0.38) POLBTACR1TNKSPARP1PARP2
SCHEMBL14610117 0.84 PARP1 (0.38) POLBPLK1TACR1TNKSPARP1
SCHEMBL5213389 0.84 TNKS (0.38) POLBTACR1TNKSPARP1PARP2
SCHEMBL5212004 0.84 TACR1 (0.41) BRD4POLBTACR1TNKSPARP1
SCHEMBL14609747 0.83 MKNK1 (0.41) PLK1TACR1TNKSPARP1PARP2

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 BRD4 1996/4885POLB 3507/4885FGFR1 1046/4885

“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.