SCHEMBL3247865

SCHEMBL3247865

Cc1c(CN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.54
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
ACHE P22303 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
GRM5 P41594 1/20 0.50
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 2/20 0.46
CA1 P00915 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AGTR1 P30556 1/20 0.46
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL4047966 0.86 TYR (0.67) TYRALDH1A1HTTACHEMEN1
SCHEMBL18688200 0.83 TYR (0.54) TYRALDH1A1HTTACHEMEN1
SCHEMBL6678039 0.82 TYR (0.51) TYRALDH1A1HTTACHEMEN1
SCHEMBL9201392 0.80 TDP1 (0.55) TYRALDH1A1HTTACHEMEN1
SCHEMBL6675068 0.76 ALDH1A1 (0.61) TYRALDH1A1HTTACHEMEN1
SCHEMBL24253032 0.76 PDCD1 (0.65) KMT2ACA12CA9SMN1; SMN2PDCD1
SCHEMBL3119831 0.76 TYR (0.50) TYRALDH1A1HTTMEN1KMT2A
SCHEMBL18668978 0.76 KDM4E (0.47) ALDH1A1HTTMEN1KMT2ARXFP1
SCHEMBL3131037 0.76 RECQL (0.47) ACHEPDCD1CD274KDM4EGAA
SCHEMBL7957447 0.76 RECQL (0.47) TYRALDH1A1MEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
EP-1409463-B1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL MYERS SQUIBB CO (US) 2010-02-24 EP disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 EP disclosed
US-7479495-B2 N-heterocyclic inhibitors of TNF-α expression PHARMACOPEIA, INC. (US) 2009-01-20 US disclosed
US-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression MORIARTY KEVIN J 2005-10-27 US disclosed
US-6906067-B2 N-heterocyclic inhibitors of TNF-α expression BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-14 US disclosed
EP-1409463-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION Bristol-Myers Squibb Company (US) 2004-04-21 EP disclosed
WO-2003002542-A1 N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-01-09 WO disclosed
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression PHARMACEOPEIA, INC. 2002-09-26 US disclosed
EP-1242385-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2002-09-25 EP disclosed
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression PHARMACOPEIA, INC. 2002-05-30 US disclosed
WO-2001047897-A1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA, INC. (US) 2001-07-05 WO disclosed
EP-0382687-B1 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA (IT) 1995-12-27 EP disclosed
US-5106851-A Respiratory system disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-04-21 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 (3 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-20050239770-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, RELA, NFKBIA TYR 1541/4885ALDH1A1 394/4885HTT 3451/4885
US-20020137747-A1 N- heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA TYR 1774/4885ALDH1A1 274/4885HTT 3491/4885
US-20020065270-A1 N-heterocyclic inhibitors of TNF-alpha expression TNF, NFKBIA, RELA TYR 1774/4885ALDH1A1 274/4885HTT 3491/4885

“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.