SCHEMBL6717329

SCHEMBL6717329

CN(C(=N)Nc1ccc(Cl)c(Cl)c1)c1ccc2cccc3c2c1C=C3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
APEX1 P27695 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL6720261 0.90 TRPV1 (0.31) TRPV1
SCHEMBL6720961 0.88 ALDH1A1 (0.42) ALDH1A1GAAHPGDKDM4EKMT2A
SCHEMBL6716635 0.88 TSHR (0.34) ALDH1A1GAATRPV1KMT2AMAPT
SCHEMBL6719762 0.84 GRIN2D (0.38) TRPV1KMT2AMEN1LMNA
SCHEMBL6720245 0.83 TRPV1 (0.34) TRPV1
SCHEMBL6719351 0.83 SIGMAR1 (0.34)
SCHEMBL6720638 0.83 APEX1 (0.40) ALDH1A1GAAHPGDAPEX1KDM4E
SCHEMBL6717321 0.83 PDE4D (0.39) ALDH1A1GAAHPGDKDM4EKMT2A
SCHEMBL6720698 0.83
SCHEMBL6717125 0.82

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 9 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

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 869/4885GAA 2268/4885HPGD 339/4885

“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.