SCHEMBL5212004

SCHEMBL5212004

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)N1CCC(CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.41
TNKS O95271 2/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
ALOX5 P09917 1/20 0.36
GRIN2B Q13224 1/20 0.35
BRD4 O60885 1/20 0.35
POLB P06746 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
SCHEMBL5212400 0.92 TACR1 (0.39) TACR1TNKSPARP1PARP2GRIN2B
SCHEMBL5213389 0.91 TNKS (0.38) TACR1TNKSPARP1PARP2POLB
SCHEMBL14610117 0.91 PARP1 (0.38) TACR1TNKSPARP1PARP2POLB
SCHEMBL14609744 0.89 MKNK1 (0.39) TACR1TNKSPARP1PARP2POLB
SCHEMBL14609755 0.89 TACR1 (0.43) TACR1TNKSPARP1PARP2POLB
Hydrochloric Acid SCHEMBL5207599 0.88 MKNK1 (0.38) TACR1TNKSPARP1PARP2POLB
SCHEMBL5214138 0.88 CNR1 (0.40) TACR1TNKSPARP1PARP2POLB
SCHEMBL14609747 0.88 MKNK1 (0.41) TACR1TNKSPARP1PARP2
SCHEMBL14609731 0.87 POLB (0.48) TACR1POLB
SCHEMBL5207233 0.87 POLB (0.37) TACR1TNKSPARP1PARP2POLB

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 TACR1 2372/4885TNKS 4684/4885PARP1 4166/4885

“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.