SCHEMBL6720690

SCHEMBL6720690

CN(C(=N)Nc1ccc2c3c(cccc13)C=C2)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
CASP6 P55212 1/20 0.35
PTPN11 Q06124 1/20 0.35
ALOX5 P09917 1/20 0.35
PTPN1 P18031 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL6716908 0.89 SIGMAR1 (0.45) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6716978 0.84 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6720784 0.82 RAB9A (0.34) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL6724111 0.81 NPC1 (0.40) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6717063 0.81 NOX1 (0.34) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6719737 0.81 NLRP3 (0.34) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6720656 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6723834 0.80 SIGMAR1 (0.40) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6720739 0.80 HDAC4 (0.33) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL6727989 0.79 MEN1 (0.42) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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 8 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
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 ALDH1A1 869/4885SMN1; SMN2 1156/4885MAPT 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.