SCHEMBL6728008

SCHEMBL6728008

CN(C(=N)Nc1ccc(Cl)cc1)c1ccc2c3c(cccc13)C=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.34
CYP19A1 P11511 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
EDNRA P25101 1/20 0.33
PKM P14618 1/20 0.33
CNR1 P21554 1/20 0.33
NOX1 Q9Y5S8 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 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
SCHEMBL6720638 0.87 APEX1 (0.40) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL6720737 0.85 SIGMAR1 (0.32) SIGMAR1
SCHEMBL6719485 0.85 CYP1A2 (0.39) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL6720771 0.85 RAB9A (0.35) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL6716814 0.85 NOX1 (0.36) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL6716751 0.84 MTOR (0.36) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL6720656 0.82 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL6721214 0.82 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL6716635 0.82 TSHR (0.34) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL6716838 0.82 SIGMAR1 (0.36) MAPTALDH1A1GAALMNASIGMAR1

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 TSHR 1357/4885MEN1 3578/4885KMT2A 4733/4885

“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.