SCHEMBL8568255

SCHEMBL8568255

CNC(=O)c1cc(C)nc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC2 Q92769 1/20 0.45
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
BRD4 O60885 1/20 0.44
PLK1 P53350 5/20 0.43
PLAU P00749 1/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP13 P45452 1/20 0.41
MAPT P10636 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL883889 0.88 BRD4 (0.40) HDAC8HDAC6HDAC2TLR8TLR7
SCHEMBL30737501 0.86 SLC6A3 (0.43) HDAC8HDAC6HDAC2BRD4PLK1
SCHEMBL12852650 0.86 NOS3 (0.52) HDAC8HDAC6HDAC2TLR8TLR7
SCHEMBL21383742 0.86 SLC6A3 (0.43) HDAC8HDAC6HDAC2BRD4PLK1
SCHEMBL19531810 0.83 TLR8 (0.44) HDAC8HDAC6HDAC2TLR8TLR7
SCHEMBL20888506 0.83 PLAU (0.39) HDAC8HDAC6HDAC2TLR8TLR7
SCHEMBL18677222 0.82 TLR8 (0.43) HDAC8HDAC6TLR8TLR7BRD4
SCHEMBL1178795 0.80 KDM4E (0.52) HTTSMN1; SMN2MAPTALDH1A1POLB
SCHEMBL4478521 0.80 HDAC8 (0.60) HDAC8HDAC6HDAC2BRD4PLK1
Hydrochloric Acid SCHEMBL1425649 0.78 KDM4E (0.50) HTTSMN1; SMN2MAPTALDH1A1POLB

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
EP-2922137-B1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR MANUFACTURING DYE-SENSITIZED SOLAR CELL FUJIFILM CORP (JP) 2019-04-03 EP disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US 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 (2 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-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B HDAC8 57/4885HDAC6 116/4885HDAC2 71/4885
US-20100137376-A1 AMIDE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE USING THE SAME NAAA, NAT1, SAT1 HDAC8 229/4885HDAC6 240/4885HDAC2 102/4885

“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.