SCHEMBL6549707

SCHEMBL6549707

C=CCOc1cc(C#N)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.47
MAPT P10636 6/20 0.46
MERTK Q12866 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KAT2B Q92831 1/20 0.40
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL31432402 0.81 TRPV4 (0.54) VCAM1MAPTMERTKKMT2AMEN1
SCHEMBL7574940 0.81 VCAM1 (0.59) VCAM1MAPTMERTKKMT2AMEN1
SCHEMBL5668088 0.80 GPR35 (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL6818591 0.79 MAPT (0.50) VCAM1MAPTMERTKKMT2AMEN1
SCHEMBL31432638 0.79 MAPT (0.53) VCAM1MAPTMERTKKMT2AMEN1
SCHEMBL28338065 0.78 CYP3A4 (0.40) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL3884042 0.78 ALDH1A1 (0.49) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL18181653 0.78 ALDH1A1 (0.47) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL426860 0.78 ALDH1A1 (0.59) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL31431100 0.78 MAPT (0.59) VCAM1MAPTMERTKKMT2AMEN1

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
US-20040110954-A1 Methods of synthesizing phenol-contining compounds SMITHKLINE BEECHAM CORPORATION 2004-06-10 US disclosed
EP-1191934-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-1383488-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
EP-0929302-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-31 EP disclosed
WO-2002079122-A2 METHODS OF SYNTHESIZING PHENOL-CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
EP-1191934-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-04-03 EP disclosed
US-6248785-B1 CHEMOKINE SENSITIVE DISEASE SMITHKLINE BEECHAM CORPORATION 2001-06-19 US disclosed
US-6204294-B1 GUANIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2001-03-20 US disclosed
WO-2000076516-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
EP-0948330-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-12-01 EP disclosed
EP-0948330-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-13 EP disclosed
EP-0929302-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-21 EP disclosed
WO-1998006397-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-19 WO disclosed
WO-1998005328-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO 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-20040110954-A1 Methods of synthesizing phenol-contining compounds COMT, BPHL, PNMT VCAM1 3903/4885MAPT 2532/4885MERTK 4691/4885

“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.