SCHEMBL6720965

SCHEMBL6720965

CN(C(=N)Nc1ccc(C(F)(F)F)cc1)c1ccc2cccc3c2c1C=C3

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.36
MTOR P42345 2/20 0.34
EPHX2 P34913 1/20 0.33
AKR1C3 P42330 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
BAZ1A Q9NRL2 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6717171 0.90 MAPT (0.34) EPHX2RAB9ANPC1MEN1KMT2A
SCHEMBL6716635 0.85 TSHR (0.34) TRPV1RAB9AMEN1KMT2AMAPT
SCHEMBL6720939 0.83 RAB9A (0.37) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL6719387 0.83 NOX1 (0.34) RAB9ANPC1MAPT
SCHEMBL6720961 0.83 ALDH1A1 (0.42) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL6716751 0.83 MTOR (0.36) TRPV1MTOREPHX2RAB9ANPC1
SCHEMBL6721258 0.82 SIGMAR1 (0.36) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL6717431 0.82 HDAC3 (0.36) MEN1KMT2AGAA
SCHEMBL6716993 0.81 ALDH1A1 (0.40) RAB9ANPC1BAZ1AMEN1KMT2A
SCHEMBL6720964 0.80 TRPV1 (0.32) TRPV1

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
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

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 3082/4885MTOR 2952/4885EPHX2 3426/4885

“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.