SCHEMBL8269124

SCHEMBL8269124

CCc1cccc(NC(=N)N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.60
GRIN2D O15399 1/20 0.60
GRIN3B O60391 1/20 0.60
GRIN1 Q05586 1/20 0.60
GRIN2A Q12879 1/20 0.60
GRIN2B Q13224 1/20 0.60
GRIN2C Q14957 1/20 0.60
GRIN3A Q8TCU5 1/20 0.60
MAPT P10636 1/20 0.53
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL2455925 0.87 SIGMAR1 (0.55) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19000835 0.86 SIGMAR1 (0.62) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6419683 0.85 SIGMAR1 (0.55) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14367988 0.84 SIGMAR1 (0.54) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
[3-(Hydroxymethyl)Phenyl]Guanidine SCHEMBL1186272 0.84 PRSS1 (0.55) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28347492 0.84 ITGB3 (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6678310 0.84 LOXL2 (0.55) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6680642 0.82 LOXL2 (0.53) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7898720 0.82 ITGB3 (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8432263 0.82 ITGB3 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 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
JP-3220169-A None JP disclosed
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2022-06-02 US disclosed
US-11130780-B2 Inhibitors of growth factor activation enzymes WASHINGTON UNIVERSITY (US) 2021-09-28 US disclosed
WO-2019154366-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏奥赛康药业有限公司 2019-08-15 WO disclosed
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2018-03-08 US disclosed
US-20160348107-A1 Compositions and Methods for Inhibiting Gene Expression of Hif2alpha SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2016-12-01 US disclosed
US-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto MYRIAD PHARMACEUTICALS, INC. (US) 2004-01-22 US disclosed
JP-H03220169-A N,N'-DISUBSTITUTED GUANIDINE AND ITS USE AS ANTAGONIST OF EXCITATORY AMINO ACID OREGON STATE 1991-09-27 JP 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 (5 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-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto TPSAB1, TPSB2, TPSD1 SIGMAR1 851/4885GRIN2D 3047/4885GRIN3B 2296/4885
US-20160348107-A1 Compositions and Methods for Inhibiting Gene Expression of Hif2alpha EPAS1, HIF1AN, EGLN2 SIGMAR1 3748/4885GRIN2D 4523/4885GRIN3B 4329/4885
US-11130780-B2 Inhibitors of growth factor activation enzymes HDGF, MMP7, HGF SIGMAR1 4054/4885GRIN2D 4818/4885GRIN3B 4034/4885
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF SIGMAR1 4054/4885GRIN2D 4818/4885GRIN3B 4034/4885
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF SIGMAR1 4054/4885GRIN2D 4818/4885GRIN3B 4034/4885

“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.