SCHEMBL5159759

SCHEMBL5159759

BrCCCCc1cnccn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HSP90AA1 P07900 1/20 0.33
VNN1 O95497 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.32
POLB P06746 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP2D6 P10635 1/20 0.31
NAMPT P43490 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL31036036 0.98 HRH1 (0.35) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL29263707 0.98 HRH1 (0.35) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL14835009 0.94 HSP90AA1 (0.34) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL9741925 0.88 HDAC3 (0.31) HDAC3HDAC1HDAC2HDAC6HRH1
SCHEMBL1427937 0.85
SCHEMBL28362525 0.84 HSP90AA1 (0.40) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL9659760 0.79 HRH1 (0.53) HSP90AA1HRH1HRH4HRH3
SCHEMBL294018 0.79 HSP90AA1 (0.33) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL10949970 0.79 HRH1 (0.36) HDAC3HDAC1HDAC2HDAC6HSP90AA1
SCHEMBL1325052 0.79 TDP1 (0.48) CYP3A4CYP2C9CYP2C19HRH1CYP2D6

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
EP-0938497-B1 CONSTRAINED HELICAL PEPTIDES AND METHODS OF MAKING SAME GENENTECH INC (US) 2007-02-28 EP disclosed
US-20020151473-A1 Constrained helical peptides and methods of making same BRAISTED ANDREW C (US) 2002-10-17 US disclosed
US-6271198-B1 CYCLIC PEPTIDES GENENTECH, INC. 2001-08-07 US disclosed
EP-0938497-A1 CONSTRAINED HELICAL PEPTIDES AND METHODS OF MAKING SAME Genentech, Inc. (US) 1999-09-01 EP disclosed
WO-1998020036-A1 CONSTRAINED HELICAL PEPTIDES AND METHODS OF MAKING SAME GENENTECH, INC. (US) 1998-05-14 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-20020151473-A1 Constrained helical peptides and methods of making same TIMCC, FURIN, NGLY1 HDAC3 4556/4885HDAC1 4643/4885HDAC2 4260/4885

“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.