SCHEMBL6727655

SCHEMBL6727655

CN(C(=N)N(C)c1ccc2cccc3c2c1C=C3)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SIGMAR1 Q99720 4/20 0.35
MAPT P10636 5/20 0.34
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
MMP14 P50281 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TLR9 Q9NR96 1/20 0.33
GAA P10253 2/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL6716724 0.89 SIGMAR1 (0.47) ALDH1A1SIGMAR1MAPTMEN1KMT2A
SCHEMBL6724475 0.83 SIGMAR1 (0.47) ALDH1A1SIGMAR1MAPTCYP1A2CYP3A4
SCHEMBL6723834 0.83 SIGMAR1 (0.40) ALDH1A1SMN1; SMN2SIGMAR1MAPTCRHBP
SCHEMBL6716993 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6716721 0.83 SIGMAR1 (0.38) SIGMAR1
SCHEMBL6716887 0.81 SIGMAR1 (0.37) SIGMAR1MEN1KMT2ARAB9A
SCHEMBL6721266 0.81 SIGMAR1 (0.37) SIGMAR1MEN1KMT2AGAANPC1
SCHEMBL6720562 0.81 SIGMAR1 (0.37) ALDH1A1SIGMAR1MAPTMEN1KMT2A
SCHEMBL6716978 0.81 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2SIGMAR1MAPTCRHBP
SCHEMBL6716882 0.81 SIGMAR1 (0.42) SIGMAR1MAPTL3MBTL1MAPK1CYP1A2

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 10 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
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
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 ALDH1A1 869/4885SMN1; SMN2 1156/4885SIGMAR1 3775/4885

“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.