SCHEMBL6719044

SCHEMBL6719044

N=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c3c(cccc13)C=C2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
KMT2A Q03164 8/20 0.49
MEN1 O00255 7/20 0.49
MAPT P10636 7/20 0.49
POLB P06746 4/20 0.49
DDX3X O00571 2/20 0.49
HTT P42858 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
BLM P54132 1/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
TNF P01375 1/20 0.45
NOD1 Q9Y239 1/20 0.45
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 2/20 0.42
HIF1A Q16665 1/20 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
Hydrochloric Acid SCHEMBL8714615 0.99 TRPV1 (0.48) TRPV1KMT2AMEN1MAPTPOLB
SCHEMBL6727989 0.88 MEN1 (0.42) KMT2AMEN1MAPTPOLBHTT
Hydrochloric Acid SCHEMBL8711738 0.87 MEN1 (0.41) KMT2AMEN1MAPTPOLBHTT
SCHEMBL6728894 0.83 TRPV1 (0.49) TRPV1KMT2AMEN1MAPTPOLB
SCHEMBL6721178 0.81 SMN1; SMN2 (0.47) KMT2AMEN1MAPTPOLBDDX3X
SCHEMBL6725074 0.81 KMT2A (0.72) TRPV1KMT2AMEN1MAPTPOLB
SCHEMBL6154766 0.80 AKR1C4 (0.44) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL6155027 0.79 KDM4E (0.34) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL6720815 0.79 SIGMAR1 (0.36) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL8742590 0.79 TRPV1 (0.43) TRPV1KMT2AMEN1SMN1; SMN2NPC1

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 12 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
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.