SCHEMBL5212167

SCHEMBL5212167

O=C(CCc1oc(SC2CCCCC2)nc1-c1ccc(Cl)cc1)N1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TACR1 P25103 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
C3AR1 Q16581 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
CNR1 P21554 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5215014 0.89 POLB (0.39) POLBTACR1HRH3MAPTNPC1
SCHEMBL5211357 0.84 RXRA (0.45) MAPTHPGDCNR1HTT
SCHEMBL5209112 0.83 POLB (0.40) POLBMEN1KMT2AMAPTNPC1
SCHEMBL5215135 0.81 POLB (0.44) POLBTACR1MEN1KMT2AMAPT
SCHEMBL5207648 0.80 SMN1; SMN2 (0.38) POLBTACR1MEN1KMT2AMAPT
SCHEMBL5208646 0.79 POLB (0.45) POLBTACR1MEN1KMT2AMAPT
SCHEMBL5211325 0.79 MEN1 (0.42) POLBTACR1MEN1KMT2AMAPT
SCHEMBL5206601 0.77 POLB (0.39) POLBTACR1MEN1KMT2AMAPT
SCHEMBL5213964 0.77 KMT2A (0.44) POLBTACR1MEN1KMT2AMAPT
SCHEMBL5212083 0.75 QPCT (0.44) POLBMEN1KMT2AMAPTHPGD

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 2372/4885MEN1 1626/4885

“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.