SCHEMBL6720656

SCHEMBL6720656

CN(C(=N)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c3c(cccc13)C=C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
CYP19A1 P11511 1/20 0.40
PTGES O14684 1/20 0.39
BAZ1A Q9NRL2 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
PAX8 Q06710 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MITF O75030 1/20 0.37
LMNA P02545 3/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6721178 0.90 SMN1; SMN2 (0.47) ALDH1A1BAZ1AMEN1KMT2ANPC1
SCHEMBL6716993 0.84 ALDH1A1 (0.40) ALDH1A1GAACYP19A1PTGESBAZ1A
SCHEMBL6728008 0.82 TSHR (0.36) ALDH1A1GAACYP19A1MEN1KMT2A
SCHEMBL6723834 0.82 SIGMAR1 (0.40) ALDH1A1BAZ1AMEN1KMT2ANPC1
SCHEMBL6719485 0.81 CYP1A2 (0.39) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL6716814 0.81 NOX1 (0.36) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL6720771 0.81 RAB9A (0.35) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL6716751 0.80 MTOR (0.36) ALDH1A1GAABAZ1AMEN1KMT2A
SCHEMBL6727989 0.79 MEN1 (0.42) ALDH1A1CYP19A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL8711738 0.78 MEN1 (0.41) ALDH1A1CYP19A1MEN1KMT2ANPC1

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 ALDH1A1 869/4885GAA 2268/4885CYP19A1 3381/4885

“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.