SCHEMBL4983976

SCHEMBL4983976

CCCCN(C(=N)N)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
JAK2 O60674 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 3/20 0.44
ADRB2 P07550 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 1/20 0.44
GLA P06280 1/20 0.43

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 SCHEMBL8194065 0.98 GRIN2D (0.49) MEN1KMT2ANPC1JAK2RAB9A
SCHEMBL10598512 0.95 NPC1 (0.56) MEN1KMT2ANPC1JAK2RAB9A
SCHEMBL10824119 0.89 MEN1 (0.53) MEN1KMT2ANPC1JAK2RAB9A
SCHEMBL8741856 0.85 KMT2A (0.50) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL7009170 0.82 NPC1 (0.44) MEN1KMT2ANPC1JAK2RAB9A
SCHEMBL1506356 0.82 NPC1 (0.58) MEN1KMT2ANPC1JAK2RAB9A
SCHEMBL28076543 0.82 NPC1 (0.50) MEN1KMT2ANPC1JAK2RAB9A
Hydrochloric Acid SCHEMBL7571060 0.81 ALOX5 (0.45) NPC1JAK2RAB9APAX8GRIN2D
SCHEMBL1520370 0.81 MEN1 (0.66) MEN1KMT2AGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL27532672 0.81 NPC1 (0.56) MEN1KMT2ANPC1JAK2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351743-B1 Therapeutic guanidines WYETH (US) 2008-04-01 US disclosed
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
WO-2000009116-A1 GRP RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-24 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-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 MEN1 3546/4885KMT2A 1936/4885NPC1 418/4885

“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.