SCHEMBL9917528

SCHEMBL9917528

C[C@@H]1CCN(CCCOc2nn(Cc3ccc(Cl)cc3)c3ccc(Cl)cc23)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
HRH3 Q9Y5N1 11/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL9917527 1.00 SIGMAR1 (0.47) SIGMAR1HRH3KDM4EALDH1A1MEN1
SCHEMBL9917526 1.00 SIGMAR1 (0.47) SIGMAR1HRH3KDM4EALDH1A1MEN1
SCHEMBL9917519 0.90 HRH3 (0.50) SIGMAR1HRH3KDM4EKCNH2
SCHEMBL13186712 0.89 HRH3 (0.47) SIGMAR1HRH3KDM4EALDH1A1MEN1
SCHEMBL13186708 0.89 HRH3 (0.47) SIGMAR1HRH3KDM4EALDH1A1MEN1
SCHEMBL9917475 0.88 CCR5 (0.43) SIGMAR1HRH3
SCHEMBL13186715 0.86 CNR2 (0.38) SIGMAR1HRH3KDM4EALDH1A1MEN1
SCHEMBL16418023 0.85 HRH3 (0.45) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL9917534 0.84 SIGMAR1 (0.55) SIGMAR1HRH3KDM4EALDH1A1MEN1
SCHEMBL9917472 0.82 HRH3 (0.55) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 US disclosed
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 SIGMAR1 2333/4885HRH3 4193/4885KDM4E 925/4885

“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.