SCHEMBL9909193

SCHEMBL9909193

COC(=O)c1ccc2c(C)cnc(-c3c(F)cccc3I)c2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.58
IL2 P60568 3/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 1/20 0.38
NEK1 Q96PY6 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AXL P30530 1/20 0.38
TTR P02766 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9907628 0.92 HTR5A (0.67) HTR5AIL2NR1H2NR1H3TTR
SCHEMBL9907743 0.87 HTR5A (0.58) HTR5AIL2NR1H2NR1H3KDM4E
SCHEMBL9907635 0.83 HTR5A (0.59) HTR5AIL2NR1H2
SCHEMBL9907748 0.83 HTR5A (0.55) HTR5ANR1H2NR1H3TTRKDM4E
SCHEMBL9907502 0.83 HTR5A (0.67) HTR5ANR1H2NR1H3NPC1RAB9A
SCHEMBL9907517 0.83 HTR5A (0.63) HTR5ANPC1RAB9AKDM4EALDH1A1
SCHEMBL9909207 0.82 HTR5A (0.50) HTR5ANEK1AXLKDM4E
SCHEMBL9907656 0.80 HTR5A (0.61) HTR5ANR1H2NR1H3ALDH1A1
SCHEMBL9907709 0.80 HTR5A (0.49) HTR5ANR1H2NR1H3KDM4EALDH1A1
SCHEMBL9907625 0.80 HTR5A (0.51) HTR5ANPC1RAB9AKDM4EALDH1A1

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 HTR5A 1/4885IL2 3643/4885NR1H2 705/4885

“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.