SCHEMBL9907502

SCHEMBL9907502

COC(=O)c1ccc2c(C)cnc(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 8/20 0.67
MAP2K4 P45985 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TNF P01375 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
PARP1 P09874 1/20 0.39
NOTUM Q6P988 1/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9907748 0.90 HTR5A (0.55) HTR5AMAP2K4PARP1NOTUMMAPK1
SCHEMBL9907628 0.90 HTR5A (0.67) HTR5AMAP2K4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL12874614 0.90 HTR5A (0.54) HTR5AMAP2K4LMNAMAPTSMN1; SMN2
SCHEMBL9102359 0.87 HTR5A (0.51) HTR5AMAP2K4LMNAMAPTSMN1; SMN2
SCHEMBL9907437 0.87 HTR5A (0.54) HTR5AMAP2K4LMNAMAPTSMN1; SMN2
SCHEMBL9102403 0.86 HTR5A (0.71) HTR5ALMNAHTTMAPK1RAB9A
SCHEMBL9107488 0.86 HTR5A (0.50) HTR5AMAP2K4LMNAMAPTSMN1; SMN2
SCHEMBL9109070 0.86 HTR5A (0.50) HTR5AMAP2K4LMNAMAPTSMN1; SMN2
SCHEMBL9107456 0.85 HTR5A (0.49) HTR5AMAP2K4LMNAMAPTSMN1; SMN2
SCHEMBL9105887 0.85 HTR5A (0.49) HTR5AMAP2K4LMNAMAPTSMN1; SMN2

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
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 HTR5A 1/4885MAP2K4 3941/4885LMNA 4287/4885

“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.