SCHEMBL4984056

SCHEMBL4984056

NC(N)=NN1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
USP2 O75604 1/20 0.48
CDK4 P11802 1/20 0.48
ALOX15 P16050 1/20 0.48
CCND1 P24385 1/20 0.48
TSHR P16473 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
MAPT P10636 4/20 0.44
SCN2A Q99250 1/20 0.43
NOTUM Q6P988 2/20 0.43
POLB P06746 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL7954957 0.89 SMN1; SMN2 (0.49) KMT2AALDH1A1MEN1ALOX15TSHR
SCHEMBL30662376 0.78 ALDH1A1 (0.57) KMT2AALDH1A1MEN1USP2CDK4
SCHEMBL11641675 0.76 ROCK1 (0.43) KMT2AALDH1A1MEN1MAPTNOTUM
SCHEMBL23131053 0.75 ALDH1A1 (0.53) KMT2AALDH1A1MEN1USP2CDK4
SCHEMBL9481934 0.75 MEN1 (0.53) KMT2AALDH1A1MEN1USP2CDK4
SCHEMBL9481953 0.75 ALDH1A1 (0.53) KMT2AALDH1A1MEN1USP2CDK4
SCHEMBL2344277 0.75 ALDH1A1 (0.53) KMT2AALDH1A1MEN1USP2CDK4
SCHEMBL27339784 0.73 NOTUM (0.50) KMT2AALDH1A1MEN1USP2TSHR
SCHEMBL11643443 0.73 NOTUM (0.49) NOTUMSMN1; SMN2
SCHEMBL29625280 0.71 MEN1 (0.54) KMT2AALDH1A1MEN1USP2CDK4

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 8 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-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
EP-0000151-A1 1-Substituted aminoindolines, process for their production and pharmaceutical compositions containing them SANDOZ AG (CH) 1979-01-10 EP disclosed
US-4112111-A ANTIHYPERTENSIVE SANDOZ LTD. (CH) 1978-09-05 US disclosed
US-4112111-A ANTIHYPERTENSIVE SANDOZ LTD. (CH) 1978-09-05 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 1936/4885ALDH1A1 4175/4885MEN1 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.