SCHEMBL6720918

SCHEMBL6720918

CN(C(=N)Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
MAPT P10636 7/20 0.51
ALDH1A1 P00352 5/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2D6 P10635 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 2/20 0.51
CYP2C9 P11712 2/20 0.51
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
SLC2A1 P11166 1/20 0.48
P2RX1 P51575 1/20 0.48
P2RX4 Q99571 1/20 0.48

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
SCHEMBL6727687 0.86 SIGMAR1 (0.51) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL6727685 0.86 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL6728001 0.86 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL6719746 0.85 ALDH1A1 (0.45) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL7203587 0.80 MAPT (0.51) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL6727803 0.80 SIGMAR1 (0.63)
SCHEMBL27429899 0.79 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7201788 0.79 SIGMAR1 (0.64)
SCHEMBL6720634 0.78 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6724446 0.78 NTRK1 (0.60) MEN1KMT2AMAPTALDH1A1CYP1A2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705100-B1 THERAPEUTIC SUBSTITUTED GUANIDINES CENES LTD (GB) 2003-07-30 EP claimed
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
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO claimed
CN-1126434-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE INC (US) 1996-07-10 CN claimed
EP-0705100-A4 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1996-05-29 EP claimed
EP-0705100-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-04-10 EP claimed
WO-1994027591-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1994-12-08 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
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 MEN1 3578/4885KMT2A 4733/4885MAPT 2121/4885

“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.