SCHEMBL453937

SCHEMBL453937

BrCC1CCN(c2ncccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
ADRA1D P25100 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1B P35368 4/20 0.44
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10491580 0.81 KDM4E (0.51) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL6030119 0.81 KDM4E (0.51) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL460460 0.81 KDM4E (0.56) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL1146193 0.81 DKK1 (0.55) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL10243308 0.81 KDM4E (0.51) KDM4ECYP2C19ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL8127062 0.79 DKK1 (0.53) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL15133278 0.78 KDM4E (0.49) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL4418417 0.78 KDM4E (0.49) KDM4ECYP2C19ALDH1A1LMNAMAPT
SCHEMBL13622629 0.75 KDM4E (0.63) KDM4ECYP2C19ALDH1A1LMNAADRA1D
SCHEMBL8119586 0.75 TSHR (0.64) KDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040563-B2 Dual inhibitors of farnesyltransferase and geranylgeranyltransferase I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-05-26 US disclosed
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I YALE UNIVERSITY (US) 2013-07-25 US disclosed
WO-2012034038-A2 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-03-15 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-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I FNTA, FNTB, GDI1 KDM4E 2239/4885CYP2C19 3844/4885ALDH1A1 2027/4885

“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.