SCHEMBL6719794

SCHEMBL6719794

Cc1ccc(Cl)c(N=C(N)Nc2cccc3cccnc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KDR P35968 3/20 0.50
MAPT P10636 4/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46

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 SCHEMBL7205179 0.99 NPC1 (0.49) NPC1RAB9AKDRMAPTTP53
SCHEMBL6716981 0.86 SIGMAR1 (0.53) KDRMAPTTP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7207758 0.85 SIGMAR1 (0.53) KDRMAPTTP53CYP1A2CYP3A4
SCHEMBL6719775 0.81 NPC1 (0.57) NPC1RAB9AKDRMAPTTP53
SCHEMBL6721255 0.81 SIGMAR1 (0.63) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL6720635 0.80 CYP1A2 (0.61) KDRMAPTCYP1A2CYP3A4MEN1
Hydrochloric Acid SCHEMBL7210010 0.80 SIGMAR1 (0.61) RAB9AMEN1KMT2AGAATDP1
SCHEMBL6719784 0.79 MEN1 (0.54) NPC1RAB9AKDRMAPTTP53
Hydrochloric Acid SCHEMBL7205173 0.78 MEN1 (0.53) NPC1RAB9AKDRMAPTTP53
SCHEMBL6511898 0.77 RAB9A (0.58) NPC1RAB9AMAPTCYP1A2CYP3A4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US claimed
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 claimed
US-6156741-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-12-05 US claimed
US-6153604-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-28 US claimed
US-6147063-A NEUROTOXICITY CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-14 US claimed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 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
US-6156741-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-12-05 US disclosed
US-6153604-A Therapeutic substituted guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-28 US disclosed
US-6147063-A NEUROTOXICITY CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-14 US disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
EP-0705100-A4 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1996-05-29 EP disclosed
EP-0705100-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-04-10 EP disclosed
WO-1994027591-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1994-12-08 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 NPC1 729/4885RAB9A 1426/4885KDR 522/4885

“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.