SCHEMBL5159765

SCHEMBL5159765

CCCC(Br)c1cnccn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LONP1 P36776 2/20 0.32
HSP90AA1 P07900 1/20 0.31
ATM Q13315 1/20 0.31
CHRM1 P11229 1/20 0.30
HRH1 P35367 1/20 0.30
KCNH2 Q12809 1/20 0.30
POLB P06746 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
SCHEMBL9992063 0.84 ATM (0.36) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL19003627 0.80 POLB (0.35) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL18595067 0.78 SMN1; SMN2 (0.37) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL31152640 0.78 HSP90AA1 (0.34) KDM4EALDH1A1SMN1; SMN2HSP90AA1ATM
SCHEMBL18881769 0.77 ATM (0.34) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL7973738 0.77 KDM4E (0.40) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL11266634 0.75 HRH1 (0.38) ALDH1A1ATMHRH1
SCHEMBL28802112 0.74 KDM4E (0.32) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL6551622 0.73 KCNA5 (0.51) CYP2D6CYP2C9ALDH1A1SMN1; SMN2CHRM1
SCHEMBL26078416 0.73 KDM4E (0.38) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E

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-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
US-4638005-A ELECTRON CARRIERS IN THE PHOTOENZYMATIC PRODUCTION OF HYDROGEN AND AMMONIA THE COCA-COLA COMPANY 1987-01-20 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 (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 CYP2D6 4767/4885CYP19A1 3734/4885CYP2C9 4587/4885

“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.