SCHEMBL3770520

SCHEMBL3770520

COc1cc(C(N)=O)ccc1C(=O)NCCN1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.74
CYP2C9 P11712 3/20 0.65
CYP2D6 P10635 2/20 0.65
CD274 Q9NZQ7 1/20 0.59
KMT2A Q03164 3/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 4/20 0.56
GAA P10253 1/20 0.56
BCL3 P20749 1/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 2/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
NPC1 O15118 1/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL3769504 0.90 SMN1; SMN2 (0.62) LMNACYP2C9CYP2D6KMT2AALDH1A1
SCHEMBL3838911 0.89 HTR4 (0.63) LMNACYP2C9CYP2D6KMT2AALDH1A1
SCHEMBL1185112 0.87 LMNA (0.78) LMNACYP2C9CYP2D6CD274KMT2A
SCHEMBL3543383 0.82 CYP2C9 (0.71) LMNACYP2C9CYP2D6CD274KMT2A
SCHEMBL29530276 0.82 LMNA (0.73) LMNACYP2C9KMT2ACYP2C19ALDH1A1
SCHEMBL1186200 0.81 LMNA (0.74) LMNACYP2C9CD274KMT2ACYP2C19
SCHEMBL6109276 0.80 LMNA (0.74) LMNACYP2C9CYP2D6KMT2AALDH1A1
SCHEMBL1184152 0.80 LMNA (0.70) LMNACYP2C9CYP2D6CD274KMT2A
SCHEMBL15485243 0.80 LMNA (0.67) LMNACYP2C9CYP2D6CD274KMT2A
SCHEMBL15536928 0.80 KMT2A (0.65) LMNACYP2C9CYP2D6KMT2APOLB

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
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
EP-1722827-A2 RADIOHALOGENATED BENZAMIDE DERIVATIVES AND THEIR USE IN TUMOR DIAGNOSIS AND TUMOR THERAPY Schering AG (DE) 2006-11-22 EP disclosed
WO-2005089815-A2 RADIOHALOGENATED BENZAMIDE DERIVATIVES AND THEIR USE IN TUMOR DIAGNOSIS AND TUMOR THERAPY SCHERING AG (DE) 2005-09-29 WO 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 LMNA 3376/4885CYP2C9 113/4885CYP2D6 373/4885
US-20050207972-A1 Radiohalogenated benzamide derivatives and their use in tumor diagnosis and tumor therapy BRDT, AADAC, IDH2 LMNA 3376/4885CYP2C9 113/4885CYP2D6 373/4885

“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.