SCHEMBL5210230

SCHEMBL5210230

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
PARP1 P09874 6/20 0.39
PARP2 Q9UGN5 4/20 0.39
TNKS O95271 3/20 0.39
GRIN2B Q13224 2/20 0.38
NAMPT P43490 1/20 0.37
MCHR1 Q99705 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL5211659 0.93 NPC1 (0.40) PARP1PARP2TNKSGRIN2BMAPT
SCHEMBL5212400 0.92 TACR1 (0.39) PARP1PARP2TNKSGRIN2BMAPT
SCHEMBL5215079 0.89 RAB9A (0.45) PARP1PARP2TNKSMAPTLMNA
SCHEMBL5210562 0.86 HPGD (0.42) PARP1PARP2TNKSGRIN2BMAPT
SCHEMBL14610117 0.84 PARP1 (0.38) PARP1PARP2TNKSMAPT
SCHEMBL5213389 0.84 TNKS (0.38) PARP1PARP2TNKSHPGD
SCHEMBL5211394 0.84 HDAC6 (0.42) NAMPTMAPTLMNATSHRMAPK1
SCHEMBL5212004 0.83 TACR1 (0.41) PARP1PARP2TNKSGRIN2B
SCHEMBL14609755 0.82 TACR1 (0.43) PARP1PARP2TNKS
SCHEMBL5212284 0.82 MEN1 (0.44) PARP1PARP2TNKSALDH1A1HPGD

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 SCN9A 760/4885PARP1 4166/4885PARP2 3266/4885

“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.