SCHEMBL6724142

SCHEMBL6724142

CCc1ccc(Cl)c(N(C)C(=N)Nc2cccc3ccccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.54
GAA P10253 1/20 0.48
TRPV1 Q8NER1 2/20 0.41
TAOK1 Q7L7X3 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
EPHX1 P07099 1/20 0.39
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
NPC1 O15118 1/20 0.38

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 SCHEMBL7208651 0.99 SIGMAR1 (0.55) SIGMAR1GAATRPV1TAOK1ALDH1A1
SCHEMBL6720741 0.86 GAA (0.48) SIGMAR1GAATRPV1TAOK1ALDH1A1
SCHEMBL6728113 0.85 GRIK1 (0.46) SIGMAR1GAATRPV1ALDH1A1MEN1
SCHEMBL6719664 0.84 KMT2A (0.46) SIGMAR1GAAALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL7203568 0.84 SIGMAR1 (0.46) SIGMAR1GAATRPV1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL7207161 0.83 KMT2A (0.45) SIGMAR1GAAALDH1A1HPGDMEN1
SCHEMBL6717072 0.82 GAA (0.53) SIGMAR1GAATRPV1TAOK1ALDH1A1
SCHEMBL6720908 0.81 MAPT (0.38) SIGMAR1GAAALDH1A1HPGDMEN1
SCHEMBL8190948 0.81 MAPT (0.41) SIGMAR1GAATRPV1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7208617 0.81 GAA (0.52) SIGMAR1GAATRPV1TAOK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US claimed
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 claimed
US-6156741-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-12-05 US claimed
US-6153604-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-28 US claimed
US-6147063-A NEUROTOXICITY CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-14 US claimed
CN-1126434-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE INC (US) 1996-07-10 CN 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
US-6156741-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-12-05 US disclosed
US-6153604-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-28 US disclosed
US-6147063-A NEUROTOXICITY CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-14 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
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed
CN-1126434-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE INC (US) 1996-07-10 CN disclosed
EP-0705100-A4 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1996-05-29 EP disclosed
EP-0705100-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-04-10 EP disclosed
WO-1994027591-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1994-12-08 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 SIGMAR1 3775/4885GAA 2268/4885TRPV1 3082/4885

“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.