SCHEMBL5211325

SCHEMBL5211325

CC1(c2nc(-c3ccc(Cl)cc3)c(CCC(=O)N3CCC(O)CC3)o2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
TACR1 P25103 3/20 0.37
MAPK11 Q15759 4/20 0.35
MAPK14 Q16539 4/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5211657 0.88 POLB (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5215135 0.83 POLB (0.44) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5212655 0.82 RXRA (0.47) MAPTHPGDHTT
SCHEMBL5208646 0.80 POLB (0.45) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5212167 0.79 POLB (0.38) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5209112 0.77 POLB (0.40) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5206601 0.77 POLB (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5213964 0.76 KMT2A (0.44) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5208350 0.75 MAPT (0.40) NPC1RAB9APOLBMAPTTACR1
SCHEMBL5212083 0.74 QPCT (0.44) MEN1KMT2APOLBMAPTLMNA

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 MEN1 1626/4885KMT2A 680/4885NPC1 3792/4885

“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.