SCHEMBL5211657

SCHEMBL5211657

CC1(c2nc(-c3ccc(Cl)cc3)c(CCC(=O)N3CCS(=O)(=O)CC3)o2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
GABRA5 P31644 1/20 0.38
TACR1 P25103 2/20 0.38
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
CNR1 P21554 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL5211325 0.88 MEN1 (0.42) POLBNPC1RAB9ATACR1LMNA
SCHEMBL5209029 0.83 POLB (0.47) POLBNPC1RAB9AGABRA5TACR1
SCHEMBL5212655 0.83 RXRA (0.47) HPGDMAPTHTTKDM4E
SCHEMBL5211815 0.81 POLB (0.47) POLBNPC1RAB9AGABRA5TACR1
SCHEMBL5209589 0.79 POLB (0.50) POLBGABRA5TACR1LMNAHPGD
SCHEMBL5215014 0.78 POLB (0.39) POLBNPC1RAB9AGABRA5TACR1
SCHEMBL5212049 0.78 CNR1 (0.43) POLBTACR1CNR1
SCHEMBL5208176 0.78 POLB (0.42) POLBNPC1RAB9AGABRA5TACR1
SCHEMBL5210396 0.77 MEN1 (0.43) POLBNPC1RAB9ATACR1LMNA
SCHEMBL5209904 0.76 POLB (0.40) POLBNPC1RAB9AGABRA5TACR1

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 3507/4885NPC1 3792/4885RAB9A 4611/4885

“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.