SCHEMBL9100686

SCHEMBL9100686

COC(=O)c1ccc2ccnc(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
TNF P01375 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
MCL1 Q07820 2/20 0.44
NOD1 Q9Y239 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NOD2 Q9HC29 1/20 0.44
HTR5A P47898 1/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 3/20 0.41
KDM6B O15054 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 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
SCHEMBL12875031 0.90 ALOX15 (0.45) HTTHPGDKMT2AALDH1A1HTR5A
SCHEMBL9907318 0.84 PLAU (0.50) MAPTALDH1A1HTR5AKDM4EKDM6B
Hydrochloric Acid SCHEMBL9108278 0.83 PLAU (0.49) MAPTALDH1A1HTR5AKDM4EKDM6B
SCHEMBL9907588 0.82 KMT2A (0.47) HTTLMNAMAPTSMN1; SMN2MEN1
SCHEMBL9907364 0.82 HTR5A (0.47) HTTLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL12874614 0.81 HTR5A (0.54) HTTLMNAMAPTSMN1; SMN2MEN1
SCHEMBL9907365 0.80 TP53 (0.47) HTTGAAALDH1A1ALOX15KDM4E
SCHEMBL9907502 0.79 HTR5A (0.67) HTTLMNAMAPTSMN1; SMN2MEN1
SCHEMBL9907366 0.79 KMO (0.44) HTTMAPTMEN1KMT2AALOX15
SCHEMBL12874624 0.79 HTR5A (0.57) HTR5A

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 8 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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP 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
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 HTT 970/4885LMNA 4287/4885MAPT 342/4885

“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.