SCHEMBL9917425

SCHEMBL9917425

Cc1ccc(Cn2cc3cc([N+](=O)[O-])c(Cl)cc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
DCTPP1 Q9H773 1/20 0.43
MAPT P10636 4/20 0.42
PGK1 P00558 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
DUSP3 P51452 1/20 0.41
NPC1 O15118 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9917443 0.90 HDAC6 (0.46) LMNAMAPTPGK1SMN1; SMN2MAPK1
SCHEMBL9917431 0.89 LMNA (0.49) LMNADCTPP1MAPTSMN1; SMN2RAB9A
SCHEMBL9917444 0.83 HDAC6 (0.44) LMNAMAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL9917424 0.78 RAB9A (0.42) LMNAMAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL31487715 0.78 PGK1 (0.44) LMNAMAPTPGK1L3MBTL1ALDH1A1
SCHEMBL17458975 0.76 LMNA (0.50) LMNADCTPP1MAPTSMN1; SMN2RAB9A
SCHEMBL16899113 0.76 MAPT (0.56) LMNAMAPTPGK1MAPK1RAB9A
SCHEMBL16418008 0.76 RAB9A (0.44) LMNADCTPP1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL29145219 0.73 PGK1 (0.40) LMNAMAPTPGK1SMN1; SMN2MAPK1
SCHEMBL29145226 0.73 PGK1 (0.40) LMNAMAPTPGK1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 US disclosed
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 (2 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 LMNA 1328/4885DCTPP1 1749/4885MAPT 4569/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 LMNA 1328/4885DCTPP1 1749/4885MAPT 4569/4885

“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.