SCHEMBL5211337

SCHEMBL5211337

CCC(CC)(c1ccc(NC(=O)CCCc2oc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CETP P11597 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
PARP3 Q9Y6F1 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL5208383 0.95 SMO (0.43) SMONPC1RAB9AKDM4EMAPT
SCHEMBL5211433 0.90 SMO (0.44) SMONPC1RAB9AKDM4EMAPT
SCHEMBL5207600 0.88 TP53 (0.44) SMONPC1RAB9AMAPTCETP
SCHEMBL5213172 0.87 CETP (0.40) NPC1RAB9AMAPTCETPSMN1; SMN2
SCHEMBL5207440 0.86 CETP (0.47) KDM4EMAPTCETPSMN1; SMN2HPGD
SCHEMBL5214912 0.85 TMEM97 (0.45) NPC1RAB9AKDM4EMAPTNPSR1
SCHEMBL5215005 0.85 PARP3 (0.39) NPC1RAB9AKDM4EMAPTCETP
SCHEMBL5214834 0.85 SMO (0.44) SMONPC1RAB9AKDM4EMAPT
SCHEMBL5214830 0.84 MAPT (0.38) NPC1RAB9AKDM4EMAPTCETP
SCHEMBL5207015 0.84 MAPT (0.41) MAPTCETPSMN1; SMN2PARP3CASP3

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 SMO 1754/4885NPC1 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.