SCHEMBL6728965

SCHEMBL6728965

CN(C(=N)Nc1cccc2cc3ccccc3cc12)c1ccc2c3c(cccc13)C=C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 4/20 0.40
RAB9A P51151 5/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.34
NPC1 O15118 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34

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
SCHEMBL6717107 0.91 SIGMAR1 (0.42) KDM4EKMT2AMAPTGAAALDH1A1
SCHEMBL6719500 0.87 KMT2A (0.40) KDM4EKMT2AMAPTGAAALDH1A1
SCHEMBL6716838 0.85 SIGMAR1 (0.36) KDM4EMAPTGAAALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL8712180 0.84 SIGMAR1 (0.36) KDM4EMAPTGAAALDH1A1SIGMAR1
SCHEMBL4982322 0.84 ALDH1A1 (0.50) KDM4EKMT2AMAPTGAAALDH1A1
SCHEMBL6721214 0.83 ALDH1A1 (0.42) KDM4EKMT2AMAPTGAAALDH1A1
SCHEMBL6721276 0.82 SIGMAR1 (0.57) KDM4EGAAALDH1A1SIGMAR1
SCHEMBL6720765 0.82 KMT2A (0.48) KDM4EKMT2AMAPTGAAALDH1A1
SCHEMBL6728125 0.81 SIGMAR1 (0.37) KDM4EMAPTALDH1A1SIGMAR1
SCHEMBL6728145 0.81 SIGMAR1 (0.34) GAASIGMAR1RAB9ANPC1

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
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
US-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 US 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 KDM4E 4800/4885KMT2A 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.