SCHEMBL6717042

SCHEMBL6717042

CN(C(=N)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc2cccc3c2c1C=C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
ADRA2A P08913 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
CYP3A4 P08684 1/20 0.42
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6720870 0.85 CYP1A2 (0.46) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL6720961 0.85 ALDH1A1 (0.42) CYP1A2RAB9ANPC1KDM4EMAPT
SCHEMBL6719390 0.84 HTR7 (0.32) HTR2BCYP3A4KDM4EMAPTSMN1; SMN2
SCHEMBL6724177 0.82 SIGMAR1 (0.36) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL6720242 0.82 CYP1A2 (0.45) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL6717070 0.81 CYP1A2 (0.34) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL6721248 0.80 PLAU (0.36)
SCHEMBL6717329 0.80 ALDH1A1 (0.38) CYP1A2CYP3A4RAB9ANPC1KDM4E
SCHEMBL6719351 0.79 SIGMAR1 (0.34)
SCHEMBL6716635 0.78 TSHR (0.34) RAB9AMAPTSMN1; SMN2LMNAALDH1A1

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 6 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
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 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 CYP1A2 4444/4885ADRA2A 1716/4885MAOA 1688/4885

“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.