SCHEMBL9907755

SCHEMBL9907755

COC(=O)c1ccc2c(F)cnc(-c3cccc(F)c3F)c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 12/20 0.53
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GABRA5 P31644 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP2K4 P45985 1/20 0.38
KIF11 P52732 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
NEK1 Q96PY6 1/20 0.38

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
SCHEMBL9907636 0.90 HTR5A (0.64) HTR5ANPC1RAB9AALDH1A1L3MBTL1
SCHEMBL9907726 0.90 HTR5A (0.55) HTR5ANPC1RAB9A
SCHEMBL9907699 0.90 HTR5A (0.51) HTR5ANPC1RAB9AGABRA5KMT2A
SCHEMBL9907724 0.88 HTR5A (0.51) HTR5ANPC1RAB9A
SCHEMBL9907517 0.86 HTR5A (0.63) HTR5ANPC1RAB9AALDH1A1KDM4E
SCHEMBL9907702 0.86 HTR5A (0.53) HTR5ANPC1RAB9AKIF11
SCHEMBL9907690 0.85 HTR5A (0.55) HTR5AALDH1A1KMT2A
SCHEMBL9907764 0.85 HTR5A (0.57) HTR5A
SCHEMBL9907637 0.85 HTR5A (0.66) HTR5A
SCHEMBL9907715 0.84 HTR5A (0.54) 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 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 1/4885NPC1 753/4885RAB9A 293/4885

“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.