SCHEMBL5215014

SCHEMBL5215014

O=C(CCc1oc(SC2CCCCC2)nc1-c1ccc(Cl)cc1)N1CCS(=O)(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TACR1 P25103 2/20 0.36
GABRA5 P31644 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
CNR1 P21554 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL5212167 0.89 POLB (0.38) POLBTACR1HRH3NPC1CYP1A2
SCHEMBL5211357 0.83 RXRA (0.45) HPGDCNR1HTTMAPT
SCHEMBL5212049 0.82 CNR1 (0.43) POLBTACR1HRH3CNR1
SCHEMBL5208176 0.82 POLB (0.42) POLBTACR1GABRA5HRH3NPC1
SCHEMBL5209029 0.80 POLB (0.47) POLBTACR1GABRA5NPC1CYP3A4
SCHEMBL5211139 0.78 SMN1; SMN2 (0.38) POLBTACR1GABRA5NPC1CYP1A2
SCHEMBL5211657 0.78 POLB (0.42) POLBTACR1GABRA5NPC1CYP1A2
SCHEMBL5207339 0.78 POLB (0.41) POLBTACR1GABRA5NPC1HPGD
SCHEMBL5211815 0.78 POLB (0.47) POLBTACR1GABRA5NPC1HPGD
SCHEMBL5209589 0.76 POLB (0.50) POLBTACR1GABRA5CYP1A2CYP3A4

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 POLB 3507/4885TACR1 2372/4885GABRA5 1852/4885

“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.