SCHEMBL4401766

SCHEMBL4401766

Cn1c(=O)c2c(ncn2CCN2CCN(c3ccccc3I)CC2)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.62
HTR6 P50406 1/20 0.62
TSHR P16473 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ADORA2B P29275 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.50
HTR1A P08908 2/20 0.49
CHRM1 P11229 2/20 0.49
DRD2 P14416 2/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
CASP1 P29466 1/20 0.49

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
SCHEMBL2626922 0.88 HTR7 (0.63) HTR7HTR6TSHRL3MBTL1ALDH1A1
SCHEMBL458792 0.88 HTR7 (0.63) HTR7HTR6TSHRL3MBTL1ALDH1A1
SCHEMBL29375465 0.88 HTR7 (0.63) HTR7HTR6TSHRL3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL12804036 0.87 HTR7 (0.62) HTR7HTR6TSHRL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL2290149 0.87 HTR7 (0.65) HTR7HTR6TSHRL3MBTL1ALDH1A1
SCHEMBL4399057 0.87 TSHR (0.72) HTR7HTR6TSHRL3MBTL1ALDH1A1
SCHEMBL11150077 0.86 HTR7 (0.58) HTR7HTR6TSHRL3MBTL1ALDH1A1
SCHEMBL2296651 0.85 L3MBTL1 (0.73) HTR7HTR6L3MBTL1HTR1ADRD2
SCHEMBL5013812 0.85 HTR7 (0.59) HTR7HTR6TSHRL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL2297385 0.85 L3MBTL1 (0.72) HTR7HTR6L3MBTL1HTR1ADRD2

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-20110118464-A1 HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY 2011-05-19 US disclosed
US-20110118464-A1 HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY 2011-05-19 US disclosed
US-20090306093-A1 METHOD FOR TREATING PATIENT HAVING BENIGN PROSTATE HYPERPLASIA KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-12-10 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-20110118464-A1 HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF TK1, XDH, KYAT1 HTR7 2141/4885HTR6 3272/4885TSHR 1592/4885

“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.