SCHEMBL656952

SCHEMBL656952

COc1cccc(CN2CCN(N)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.77
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 3/20 0.68
GAA P10253 1/20 0.64
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
DRD2 P14416 2/20 0.59
HTR1A P08908 1/20 0.59
HTR2B P41595 1/20 0.59
CASP1 P29466 1/20 0.57
CASP4 P49662 1/20 0.57
CASP5 P51878 1/20 0.57
ATM Q13315 1/20 0.57
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
FAAH O00519 1/20 0.56
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55

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
SCHEMBL20804357 0.92 SIGMAR1 (0.90) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL28186295 0.92 SIGMAR1 (0.90) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL21733083 0.86 SIGMAR1 (0.79) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL14076364 0.86 SIGMAR1 (0.79) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL3162705 0.85 SIGMAR1 (0.79) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL30774908 0.85 SIGMAR1 (0.79) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL22642361 0.84 SIGMAR1 (0.77) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL29447356 0.84 SIGMAR1 (0.77) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL1883482 0.84 SIGMAR1 (0.77) SIGMAR1KDM4EALDH1A1GAAMEN1
SCHEMBL27253620 0.83 SIGMAR1 (0.80) SIGMAR1KDM4EALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 US disclosed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 US disclosed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 US disclosed
US-20120046246-A1 METHODS FOR TREATING OSTEOCLAST-RELATED DISEASE, COMPOUNDS AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-02-23 US disclosed
WO-2010071826-A2 METHODS FOR TREATING OSTEOCLAST-RELATED DISEASE, COMPOUNDS AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-24 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-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA XPO1, XPOT, DDB1 SIGMAR1 1879/4885KDM4E 3361/4885ALDH1A1 4788/4885
US-20120046246-A1 METHODS FOR TREATING OSTEOCLAST-RELATED DISEASE, COMPOUNDS AND COMPOSITIONS THEREOF CTSB, SOST, CTSG SIGMAR1 4503/4885KDM4E 1873/4885ALDH1A1 2363/4885

“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.