SCHEMBL3753680

SCHEMBL3753680

CCCNC(=O)C1NCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
F2 P00734 3/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
OPRM1 P35372 4/20 0.39
RORC P51449 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL4163569 0.88 TSHR (0.44) HSP90AA1HSP90AB1F2TSHRNPSR1
Hydrochloric Acid SCHEMBL15569689 0.83 MEN1 (0.57) KMT2AMEN1TSHRNPSR1
SCHEMBL4146467 0.82 MEN1 (0.39) HPGDKMT2AMEN1MAPTF2
SCHEMBL24113114 0.80 TSHR (0.44) HPGDHSP90AA1HSP90AB1MAPTF2
SCHEMBL1426173 0.79 LMNA (0.46) HTTHPGDHSP90AA1HSP90AB1KMT2A
SCHEMBL4156187 0.79 RORC (0.40) HPGDMAPTF2TSHRNPSR1
SCHEMBL4707323 0.77 TSHR (0.41) KMT2AMEN1F2TSHRNPSR1
SCHEMBL23135231 0.75 TSHR (0.47) HPGDMAPTTSHRNPSR1SLC6A2
SCHEMBL7529705 0.75 TSHR (0.47) HPGDMAPTTSHRNPSR1SLC6A2
SCHEMBL6122341 0.75 NAMPT (0.56) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879863-A1 AMIDE RESORCINOL COMPOUNDS Pfizer, Inc. (US) 2008-01-23 EP claimed
WO-2006117669-A1 AMIDE RESORCINOL COMPOUNDS PFIZER INC. (US) 2006-11-09 WO claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-1879863-A1 AMIDE RESORCINOL COMPOUNDS Pfizer, Inc. (US) 2008-01-23 EP disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
WO-2006117669-A1 AMIDE RESORCINOL COMPOUNDS PFIZER INC. (US) 2006-11-09 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 (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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 HTT 3361/4885HPGD 2802/4885HSP90AA1 3007/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 HTT 3086/4885HPGD 592/4885HSP90AA1 2902/4885

“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.