SCHEMBL9909271

SCHEMBL9909271

COC(=O)c1ccc2ncc(I)c(-c3ccc(F)cc3C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
TNF P01375 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NR2F2 P24468 1/20 0.44
MCL1 Q07820 1/20 0.44
KLF5 Q13887 1/20 0.44
NOD1 Q9Y239 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
PAX8 Q06710 1/20 0.42
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9907596 0.87 HTR5A (0.55) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9909252 0.85 MAPT (0.41) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9907396 0.82 HTR5A (0.52) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9907442 0.80 HTR5A (0.48) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9909251 0.79 CYP11B1 (0.39) KDM4EMAPTSMN1; SMN2HTTPIK3CA
SCHEMBL9907443 0.78 PIK3CA (0.53) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9103249 0.77 HTR5A (0.67) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9907357 0.76 MAPT (0.46) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9907559 0.76 HTR5A (0.44) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9909179 0.75 HTR5A (0.49) KDM4EMAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KDM4E 1474/4885MAPT 342/4885SMN1; SMN2 3684/4885

“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.