SCHEMBL5210562

SCHEMBL5210562

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1cccc(Cl)c1)N1CCC(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
FGFR1 P11362 1/20 0.39
GRIN2B Q13224 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CALCRL Q16602 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
TACR1 P25103 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 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 0.91 TACR1 (0.39) HPGDTNKSPARP1PARP2GRIN2B
SCHEMBL5211659 0.91 NPC1 (0.40) TNKSPARP1PARP2GRIN2BMAPT
SCHEMBL5210230 0.86 SCN9A (0.39) HPGDTNKSPARP1PARP2GRIN2B
SCHEMBL5212100 0.84 RXRA (0.51) FGFR1RXRARXRBRXRG
SCHEMBL5215079 0.84 RAB9A (0.45) HPGDTNKSPARP1PARP2MAPT
SCHEMBL14610117 0.84 PARP1 (0.38) TNKSPARP1PARP2MAPTTACR1
SCHEMBL5213389 0.84 TNKS (0.38) HPGDTNKSPARP1PARP2TACR1
SCHEMBL5212004 0.83 TACR1 (0.41) TNKSPARP1PARP2GRIN2BTACR1
SCHEMBL14609755 0.82 TACR1 (0.43) TNKSPARP1PARP2TACR1NPC1
SCHEMBL5212284 0.82 MEN1 (0.44) HPGDTNKSPARP1PARP2ALDH1A1

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 HPGD 958/4885TNKS 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.