SCHEMBL6132264

SCHEMBL6132264

COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(N3CCN(CC4CCCCC4)CC3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.56
HDAC8 Q9BY41 6/20 0.56
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
CHRM4 P08173 2/20 0.45
POLB P06746 1/20 0.44
S1PR2 O95136 1/20 0.43

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
SCHEMBL6234622 0.99 HDAC3 (0.57) HDAC3HDAC8ALDH1A1TSHRMAPT
SCHEMBL6132372 0.83 HDAC3 (0.53) HDAC3HDAC8ALDH1A1CHRM4S1PR2
SCHEMBL6132282 0.83 PDE4D (0.46) HDAC3HDAC8ALDH1A1TSHRMAPT
SCHEMBL6134631 0.82 HDAC3 (0.50) HDAC3HDAC8ALDH1A1SMN1; SMN2
SCHEMBL6132688 0.82 ALDH1A1 (0.52) ALDH1A1TSHRMAPTSMN1; SMN2HTT
SCHEMBL6134644 0.82 HDAC3 (0.51) HDAC3HDAC8ALDH1A1TSHRMAPT
SCHEMBL6241221 0.82 USP2 (0.46) HDAC3HDAC8ALDH1A1TSHRMAPT
SCHEMBL6235992 0.82 HDAC3 (0.54) HDAC3HDAC8CHRM4
SCHEMBL7341735 0.81 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6134989 0.81 ALDH1A1 (0.51) HDAC3HDAC8ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 HDAC3 1534/4885HDAC8 2137/4885ALDH1A1 4718/4885

“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.