SCHEMBL6728894

SCHEMBL6728894

N=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2cccc3c2c1C=C3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
KMT2A Q03164 9/20 0.46
MEN1 O00255 8/20 0.46
MAPT P10636 6/20 0.46
POLB P06746 5/20 0.46
DDX3X O00571 2/20 0.46
HTT P42858 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
RAB9A P51151 4/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 3/20 0.45
TNF P01375 2/20 0.45
NOD1 Q9Y239 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
BAZ1A Q9NRL2 1/20 0.43
BLM P54132 1/20 0.43
POLA1 P09884 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.42

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
SCHEMBL6717186 0.89 MEN1 (0.40) TRPV1KMT2AMEN1MAPTPOLB
SCHEMBL6719044 0.83 TRPV1 (0.49) TRPV1KMT2AMEN1MAPTPOLB
Hydrochloric Acid SCHEMBL8714615 0.82 TRPV1 (0.48) TRPV1KMT2AMEN1MAPTPOLB
SCHEMBL6728587 0.81 SMN1; SMN2 (0.44) TRPV1KMT2AMEN1MAPTPOLB
SCHEMBL6155378 0.81 ALDH1A1 (0.35) MAPTALDH1A1
SCHEMBL6719046 0.81 SIGMAR1 (0.36)
SCHEMBL6719777 0.80 RAB9A (0.38) KMT2AMEN1MAPTPOLBRAB9A
Bromide SCHEMBL6154601 0.79 ALDH1A1 (0.34) MAPTALDH1A1
SCHEMBL6722384 0.79 NPC1 (0.35) KMT2AMEN1MAPTPOLBRAB9A
SCHEMBL6720950 0.79 SIGMAR1 (0.45) TRPV1KMT2AMEN1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 US claimed
EP-0746316-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP claimed
EP-0746316-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-12-11 EP claimed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 WO claimed
US-6673557-B2 ADMINISTERING SUBSTITUED GUANIDINE COMPOUNDS FOR THERAPY OF DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2004-01-06 US disclosed
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US disclosed
US-6358696-B1 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF ONE OR MORE SUBSTITUTED GUANIDINES TO TREAT DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2002-03-19 US disclosed
US-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
US-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 US disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed
EP-0746316-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0746316-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-12-11 EP disclosed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 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-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 TRPV1 3082/4885KMT2A 4733/4885MEN1 3578/4885

“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.