SCHEMBL5208698

SCHEMBL5208698

Cc1ccc(CNC(=O)CCc2oc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.46
ASAH1 Q13510 1/20 0.46
ENPP2 Q13822 2/20 0.46
GLA P06280 1/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5206933 0.96 ENPP2 (0.47) TP53ENPP2MAPTLMNAPOLB
SCHEMBL5211092 0.95 TP53 (0.45) TP53ASAH1ENPP2GLAMAPT
SCHEMBL5209943 0.93 ENPP2 (0.47) TP53ENPP2MAPTLMNAPOLB
SCHEMBL5212575 0.93 ENPP2 (0.49) TP53ASAH1ENPP2MAPTLMNA
SCHEMBL5206854 0.92 ENPP2 (0.44) TP53ENPP2MAPTLMNAHTT
SCHEMBL5213638 0.91 ENPP2 (0.42) TP53ENPP2MAPTLMNAHTT
SCHEMBL5213091 0.91 ENPP2 (0.42) TP53ENPP2MAPTLMNAHTT
SCHEMBL5211199 0.91 MAPT (0.53) TP53ENPP2MAPTLMNAHTT
SCHEMBL5207799 0.91 ENPP2 (0.45) TP53ENPP2MAPTLMNATSHR
SCHEMBL5212903 0.90 ENPP2 (0.46) TP53ASAH1ENPP2MAPTLMNA

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 TP53 4375/4885ASAH1 4549/4885ENPP2 2808/4885

“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.