SCHEMBL5215239

SCHEMBL5215239

O=C(CCc1oc(-c2cccc3ccccc23)nc1-c1ccc(Cl)cc1)N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.44
TNKS O95271 5/20 0.42
PARP1 P09874 5/20 0.42
PARP2 Q9UGN5 5/20 0.42
C5AR1 P21730 1/20 0.38
TACR1 P25103 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5209815 0.85 TACR1 (0.41) TNKSPARP1PARP2TACR1NPC1
SCHEMBL5212036 0.85 TACR1 (0.46) HTR2CTNKSPARP1PARP2TACR1
SCHEMBL5211972 0.83 TNKS (0.42) TNKSPARP1PARP2TACR1NPC1
SCHEMBL5206931 0.82 RXRA (0.51) HTR2CRAB9APOLBMAPT
SCHEMBL5206601 0.81 POLB (0.39) TNKSPARP1PARP2TACR1NPC1
SCHEMBL5212083 0.81 QPCT (0.44) POLBMAPT
SCHEMBL5211801 0.81 TACR1 (0.43) TNKSPARP1PARP2TACR1NPC1
SCHEMBL5215135 0.80 POLB (0.44) TNKSPARP1PARP2TACR1NPC1
SCHEMBL5213964 0.79 KMT2A (0.44) TNKSPARP1PARP2TACR1NPC1
SCHEMBL5209850 0.78 KDM4E (0.41) NPC1RAB9APOLBMAPT

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 HTR2C 858/4885TNKS 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.