SCHEMBL6719485

SCHEMBL6719485

COc1ccc(NC(=N)N(C)c2ccc3c4c(cccc24)C=C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AHR P35869 1/20 0.37
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
ESR2 Q92731 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
KEAP1 Q14145 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
SCHEMBL6720551 0.85 PTGES (0.42) TP53SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL6728008 0.85 TSHR (0.36) CYP1A2CYP2C19TP53TSHRMEN1
SCHEMBL6719059 0.85 KMT2A (0.41) CYP1A2CYP2C19TP53MEN1KMT2A
SCHEMBL6716814 0.83 NOX1 (0.36) CYP1A2CYP2C19TP53MEN1KMT2A
SCHEMBL6720771 0.83 RAB9A (0.35) TP53MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6720939 0.83 RAB9A (0.37) CYP1A2CYP2C19TP53TSHRMEN1
SCHEMBL6721214 0.82 ALDH1A1 (0.42) CYP1A2CYP2C19MEN1KMT2ARAB9A
SCHEMBL6716751 0.82 MTOR (0.36) TP53MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6720703 0.81 SIGMAR1 (0.42) CYP2C19MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6720656 0.81 ALDH1A1 (0.42) MEN1KMT2ARAB9ASMN1; SMN2MAPT

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
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
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 CYP1A2 4444/4885CYP2C19 4654/4885TP53 4568/4885

“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.