SCHEMBL3769504

SCHEMBL3769504

COc1cc(C(N)=O)ccc1C(=O)NCCN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
HTR4 Q13639 3/20 0.61
LMNA P02545 1/20 0.59
POLB P06746 2/20 0.58
KMT2A Q03164 1/20 0.57
SLC5A7 Q9GZV3 1/20 0.56
ALDH1A1 P00352 1/20 0.53
MCHR1 Q99705 3/20 0.52
F10 P00742 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
SLC29A1 Q99808 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
GFER P55789 1/20 0.51
MCHR2 Q969V1 1/20 0.50

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
SCHEMBL3838911 0.99 HTR4 (0.63) SMN1; SMN2HTR4LMNAPOLBKMT2A
SCHEMBL3770520 0.90 LMNA (0.74) SMN1; SMN2LMNAPOLBKMT2AALDH1A1
SCHEMBL1185868 0.86 HTR4 (0.67) SMN1; SMN2HTR4LMNAPOLBALDH1A1
SCHEMBL1186358 0.85 HTR4 (0.69) SMN1; SMN2HTR4LMNAPOLBALDH1A1
SCHEMBL15536928 0.83 KMT2A (0.65) SMN1; SMN2HTR4LMNAPOLBKMT2A
SCHEMBL3542972 0.81 SMN1; SMN2 (0.68) SMN1; SMN2HTR4POLBKMT2ASLC5A7
SCHEMBL9995247 0.80 ALDH1A1 (0.77) SMN1; SMN2HTR4LMNAPOLBALDH1A1
SCHEMBL13575582 0.80 SMN1; SMN2 (0.67) SMN1; SMN2HTR4POLBKMT2ASLC5A7
SCHEMBL14924433 0.80 SMN1; SMN2 (0.70) SMN1; SMN2POLBKMT2ASLC5A7ALDH1A1
SCHEMBL1184262 0.80 LMNA (0.59) SMN1; SMN2HTR4LMNAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7850948-B2 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BAYER SCHERING PHARMA AG (DE) 2010-12-14 US disclosed
US-20090012090-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy FRIEBE MATTHIAS 2009-01-08 US disclosed
US-7427390-B2 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy SCHERING AG (DE) 2008-09-23 US disclosed
US-20050207972-A1 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 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 (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-20090012090-A1 Radiohalogenated Benzamide Derivatives And Their Use In Tumor Diagnosis And Tumor Therapy BRDT, AADAC, IDH2 SMN1; SMN2 4756/4885HTR4 1709/4885LMNA 3376/4885
US-20050207972-A1 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BRDT, AADAC, IDH2 SMN1; SMN2 4756/4885HTR4 1709/4885LMNA 3376/4885

“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.