SCHEMBL2225857

SCHEMBL2225857

O=C(O)N1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.55
HTR2C P28335 6/20 0.53
TDP1 Q9NUW8 2/20 0.52
TLR7 Q9NYK1 1/20 0.52
PIN1 Q13526 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CHRNA7 P36544 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
HPGDS O60760 2/20 0.49
MAPT P10636 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL17953075 0.90 PTGDR2 (0.54) HDAC1HDAC8HDAC6PTGDR2HTR2C
SCHEMBL22221788 0.89 PTGDR2 (0.53) HDAC1HDAC8HDAC6PTGDR2HTR2C
SCHEMBL29944217 0.89 HTR2C (0.63) HDAC1HDAC8HDAC6PTGDR2HTR2C
SCHEMBL3543198 0.89 HTR2C (0.63) HDAC1HDAC8HDAC6PTGDR2HTR2C
SCHEMBL3547467 0.89 HTR2C (0.63) HDAC1HDAC8HDAC6PTGDR2HTR2C
SCHEMBL22221831 0.88 PTGDR2 (0.52) HDAC1HDAC8HDAC6PTGDR2HTR2C
SCHEMBL22221724 0.87 PTGDR2 (0.53) HDAC1HDAC8HDAC6PTGDR2HTR2C
SCHEMBL2227790 0.86 CHEK1 (0.60) HDAC1HDAC8HDAC6PTGDR2HTR2C
SCHEMBL22221696 0.85 DRD2 (0.64) PTGDR2L3MBTL1
SCHEMBL6912745 0.82 ACKR3 (0.66) HDAC1HDAC8HDAC6PTGDR2HTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO 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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B HDAC1 1440/4885HDAC8 2959/4885HDAC6 1763/4885

“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.