SCHEMBL6721299

SCHEMBL6721299

N=C(Nc1ccc(F)c(C(F)(F)F)c1)Nc1ccc(F)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.47
TRPV1 Q8NER1 8/20 0.44
AR P10275 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RIPK1 Q13546 1/20 0.40
KDM4E B2RXH2 1/20 0.40
IDH2 P48735 2/20 0.39
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
FRK P42685 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2D Q13557 1/20 0.38
NTRK3 Q16288 1/20 0.38

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
SCHEMBL7348388 0.94 MEN1 (0.50) GRM4TRPV1MEN1KMT2AKDM4E
SCHEMBL6717021 0.88 MEN1 (0.54) GRM4TRPV1MEN1KMT2AKDM4E
SCHEMBL6719699 0.81 KMT2A (0.45) GRM4TRPV1MEN1KMT2A
SCHEMBL6724625 0.80 TRPV1 (0.50) GRM4TRPV1MEN1KMT2AKDM4E
SCHEMBL6717536 0.78 MAPT (0.40) TRPV1MEN1KMT2A
SCHEMBL7378805 0.77 RXFP1 (0.48) TRPV1MEN1KMT2AKDM4EKDR
SCHEMBL6719799 0.74 GAA (0.54)
SCHEMBL8741201 0.73 GRM4 (0.44) GRM4TRPV1ARSLC22A12MEN1
SCHEMBL14601747 0.73 TMPRSS4 (0.49) GRM4TRPV1ARMEN1KMT2A
SCHEMBL10383508 0.72 AR (0.46) GRM4TRPV1ARSLC22A12RIPK1

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 14 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
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
EP-0726706-A4 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS OREGON STATE (US) 1997-11-19 EP claimed
EP-0726706-A1 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1996-08-21 EP claimed
WO-1993017555-A1 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1993-09-16 WO claimed
US-5190976-A Neuroprotective STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND UNIVERSITY OF OREGON (US) 1993-03-02 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
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 GRM4 1276/4885TRPV1 3082/4885AR 4397/4885

“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.