SCHEMBL5080879

SCHEMBL5080879

CC(=N)Nc1cccc(CN)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.49
CFD P00746 1/20 0.47
NOS1 P29475 5/20 0.46
NOS2 P35228 5/20 0.46
ENPP2 Q13822 1/20 0.46
NOS3 P29474 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR6 P50406 1/20 0.44
AURKB Q96GD4 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42

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 SCHEMBL7875006 0.98 LOXL2 (0.47) LOXL2CFDNOS1NOS2ENPP2
SCHEMBL5078291 0.86 NOS1 (0.49) NOS1NOS2NOS3HTR6SIGMAR1
SCHEMBL6678310 0.84 LOXL2 (0.55) LOXL2CFDNOS1NOS2ENPP2
SCHEMBL7865754 0.84 PDK1 (0.51) ENPP2ALDH1A1SMN1; SMN2CYP3A4SIGMAR1
SCHEMBL14367988 0.84 SIGMAR1 (0.54) ALDH1A1SMN1; SMN2SIGMAR1GRIN2DGRIN3B
SCHEMBL7874966 0.83 CYP3A4 (0.51) NOS1NOS2NOS3ALDH1A1CYP3A4
SCHEMBL6676819 0.83 LOXL2 (0.46) LOXL2CFDNOS1NOS2ENPP2
Hydrochloric Acid SCHEMBL6680642 0.82 LOXL2 (0.53) LOXL2CFDNOS1NOS2ENPP2
SCHEMBL2545099 0.82 ALDH1A1 (0.61) LOXL2CFDALDH1A1SMN1; SMN2
SCHEMBL7874969 0.82 NOS1 (0.46) NOS1NOS2NOS3SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US claimed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US claimed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP claimed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 WO claimed
US-20080070952-A1 Inhibition or Treatment of Dyskinesia PROXIMAGEN LTD., (GB) 2008-03-20 US disclosed
EP-1850838-A2 INHIBITION OR TREATMENT OF DYSKINESIA Proximagen Ltd. (GB) 2007-11-07 EP disclosed
WO-2006087577-A2 INHIBITION OR TREATMENT OF DYSKINESIA PROXIMAGEN LTD. (GB) 2006-08-24 WO disclosed
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US disclosed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP disclosed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 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-20080070952-A1 Inhibition or Treatment of Dyskinesia DBH, COMT, DDO LOXL2 1719/4885CFD 4774/4885NOS1 15/4885

“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.