SCHEMBL6728263

SCHEMBL6728263

CC(C)(C)c1ccc(NC(=N)Nc2ccc3c4c(cccc24)C=C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 1/20 0.40
NLRP3 Q96P20 1/20 0.39
RAB9A P51151 5/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
MAPK14 Q16539 1/20 0.36
DHPS P49366 1/20 0.35
PABPC1 P11940 1/20 0.35
EIF4H Q15056 1/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
XBP1 P17861 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
Hydrochloric Acid SCHEMBL8717111 0.99 MAPT (0.39) MAPTKDM4ENPSR1PKMNLRP3
SCHEMBL6727475 0.88 HDAC3 (0.40) NLRP3POLBMAPK14HDAC3HDAC8
SCHEMBL6720772 0.87 TRPV1 (0.44) MAPTRAB9AKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8712863 0.86 HDAC3 (0.39) NLRP3POLBMAPK14HDAC3HDAC8
SCHEMBL6155027 0.83 KDM4E (0.34) MAPTKDM4ERAB9AKMT2AMEN1
SCHEMBL6716804 0.83 TRPV1 (0.40) MAPTKDM4ERAB9AKMT2AMEN1
SCHEMBL6724454 0.82 NLRP3 (0.38) MAPTKDM4ENLRP3RAB9AKMT2A
SCHEMBL6720829 0.82 RAB9A (0.43) MAPTKDM4EPKMRAB9AKMT2A
SCHEMBL6156272 0.82 GAA (0.48) MAPTKDM4ENPSR1RAB9AKMT2A
SCHEMBL6720912 0.82 HTR2C (0.42) MAPTKDM4ERAB9AKMT2AMEN1

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 MAPT 2121/4885KDM4E 4800/4885NPSR1 1392/4885

“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.