SCHEMBL5212255

SCHEMBL5212255

CCNC(=O)CCCc1oc(-c2ccccc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 3/20 0.44
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
MAPT P10636 1/20 0.41
SMO Q99835 1/20 0.40
FAAH O00519 1/20 0.40
KCNH2 Q12809 1/20 0.40
ADK P55263 1/20 0.40
AVPR1B P47901 2/20 0.40
TP53 P04637 2/20 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
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
TARBP2 Q15633 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
SCHEMBL5211557 0.85 RXRA (0.56) RXRARXRBRXRGHPGDTSHR
SCHEMBL5211980 0.84 RXRA (0.49) RXRARXRBRXRGFAAHKCNH2
SCHEMBL5211851 0.83 HSD17B10 (0.48) RXRARXRBRXRGMAPTFAAH
SCHEMBL5215419 0.81 RXRA (0.54) RXRARXRBRXRGHPGDTSHR
SCHEMBL5211259 0.81 FAAH (0.44) RXRARXRBRXRGMAPTSMO
SCHEMBL5209113 0.81 MAPT (0.46) MAPTSMOTP53HPGD
SCHEMBL5210892 0.81 RXRA (0.62) RXRARXRBRXRGMAPTHPGD
SCHEMBL5211537 0.80 RXRA (0.47) RXRARXRBRXRGMAPTSMO
SCHEMBL5209678 0.80 KMT2A (0.40) RXRARXRBRXRGMAPTSMO
SCHEMBL5210260 0.80 POLB (0.53) MAPTTP53TSHR

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 RXRA 1231/4885RXRB 1269/4885RXRG 1203/4885

“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.