SCHEMBL6716993

SCHEMBL6716993

CN(C(=N)Nc1ccc([N+](=O)[O-])cc1)c1ccc2cccc3c2c1C=C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
PTGES O14684 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
POLB P06746 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP19A1 P11511 1/20 0.35
CD40 P25942 1/20 0.35
CD40LG P29965 1/20 0.35
MITF O75030 1/20 0.35
ATM Q13315 1/20 0.35
BAZ1A Q9NRL2 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
RRM1 P23921 1/20 0.35
MAPT P10636 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
SCHEMBL6728587 0.90 SMN1; SMN2 (0.44) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL6720656 0.84 ALDH1A1 (0.42) ALDH1A1GAAPTGESRAB9ANPC1
SCHEMBL6716635 0.84 TSHR (0.34) ALDH1A1GAARAB9AMEN1KMT2A
SCHEMBL6727655 0.83 ALDH1A1 (0.36) ALDH1A1GAARAB9ANPC1MEN1
SCHEMBL6717171 0.82 MAPT (0.34) GAARAB9ANPC1MEN1KMT2A
SCHEMBL6719387 0.82 NOX1 (0.34) RAB9ANPC1MAPT
SCHEMBL6720939 0.82 RAB9A (0.37) ALDH1A1GAARAB9ANPC1MEN1
SCHEMBL6720961 0.81 ALDH1A1 (0.42) ALDH1A1GAARAB9ANPC1MEN1
SCHEMBL6716978 0.81 ALDH1A1 (0.34) ALDH1A1GAAMEN1KMT2AHTT
SCHEMBL6720965 0.81 TRPV1 (0.36) ALDH1A1GAARAB9ANPC1MEN1

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 12 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
EP-0746316-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0746316-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-12-11 EP disclosed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 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 869/4885GAA 2268/4885PTGES 184/4885

“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.