SCHEMBL5464407

SCHEMBL5464407

N=C(NC1c2ccccc2-c2ccccc21)NC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PPIA P62937 7/20 0.45
GAA P10253 1/20 0.45
BCHE P06276 1/20 0.42
ACHE P22303 1/20 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
SCHEMBL5558638 0.83 KMT2A (0.50) KMT2AMAPTMEN1LMNATSHR
SCHEMBL4984325 0.82 EPHX2 (0.43) KMT2AMAPTMEN1LMNATSHR
SCHEMBL11483849 0.78 KMT2A (0.50) KMT2AMAPTMEN1LMNATSHR
SCHEMBL29273709 0.77 MAPT (0.65) KMT2AMAPTMEN1LMNATSHR
SCHEMBL4983852 0.77 FAAH (0.44) KMT2AMAPTLMNATSHRNPSR1
Iodide SCHEMBL11495519 0.77 KMT2A (0.49) KMT2AMAPTMEN1LMNATSHR
SCHEMBL1567605 0.76 KMT2A (0.61) KMT2AMAPTMEN1LMNATSHR
SCHEMBL1007576 0.76 MAPT (0.62) KMT2AMAPTMEN1LMNATSHR
SCHEMBL11483016 0.74 KMT2A (0.50) KMT2AMAPTMEN1LMNATSHR
SCHEMBL144326 0.74 KMT2A (0.65) KMT2AMAPTMEN1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV SCION PHARMACEUTICALS, INC, A DELAWARE CORPORATION 2007-11-15 US disclosed
US-6787569-B1 INHIBITORS OF NEUROTRANSMITTER (E.G., GLUTAMATE) RELEASE FROM ISCHEMIC NEURONAL CELLS; N,N-DISUBSTITUTED GUANIDINES; NEUROLOGICAL CONDITIONS SUCH AS EPILEPSY, NEURODEGENERATIVE CONDITIONS AND/OR NERVE CELL DEATH FROM STROKE OR HEART ATTACK CAMBRIDGE NEUROSCIENCE, INC. 2004-09-07 US disclosed
US-6288123-B1 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCES, INC. 2001-09-11 US disclosed
US-6174924-B1 Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. 2001-01-16 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US 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-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV GAP43, NLN, HTT KMT2A 1936/4885MAPT 29/4885MEN1 3546/4885

“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.