SCHEMBL5215328

SCHEMBL5215328

CCC(CC)(c1ccc(NC(=O)CCCc2oc(N3CCN(c4ccccn4)CC3)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
GFER P55789 1/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
CACNA1G O43497 2/20 0.37
THRB P10828 1/20 0.37
PANK3 Q9H999 1/20 0.37
HTR1A P08908 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
SCHEMBL5213026 0.89 CHRM1 (0.38) RAB9AMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL5207374 0.86 LMNA (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5213773 0.84 PIK3CA (0.41) MEN1KMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL5209164 0.83 CACNA1G (0.34) MEN1KMT2ALMNASMN1; SMN2CACNA1G
SCHEMBL5211337 0.81 SMO (0.42) RAB9AMEN1KMT2AACHEBACE1
SCHEMBL5210386 0.78 MAPT (0.38) MEN1KMT2ATRPV1LMNASMN1; SMN2
SCHEMBL5212143 0.78 CD38 (0.37) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5207013 0.78 MAPT (0.39) RAB9AALDH1A1LMNANPC1THRB
SCHEMBL5210972 0.77 TP53 (0.39) RAB9AMEN1KMT2ATRPV1KDM4E
SCHEMBL5212518 0.77 MAPT (0.39) RAB9AMEN1KMT2ATRPV1KDM4E

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 RAB9A 4611/4885MEN1 1626/4885KMT2A 680/4885

“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.