SCHEMBL5447804

SCHEMBL5447804

CCCCc1ccc(NC(=N)N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
F13A1 P00488 1/20 0.55
TGM2 P21980 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.52
TRPV1 Q8NER1 1/20 0.50
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
SPHK1 Q9NYA1 2/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL2002563 0.93 THRA (0.57) CA12CA1CA2CA9SPHK1
SCHEMBL12514072 0.89 AOC3 (0.44) POLBF13A1TGM2RAB9ANPC1
SCHEMBL4980235 0.85 POLB (0.60) POLBRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL3785285 0.85 AOC3 (0.45) RAB9ANPC1SPHK1
SCHEMBL1954256 0.82 POLB (0.66) POLBF13A1TGM2RAB9ANPC1
SCHEMBL10786449 0.82 LMNA (0.60) POLBF13A1TGM2RAB9ANPC1
SCHEMBL10789340 0.82 POLB (0.57) POLBF13A1TGM2RAB9ANPC1
SCHEMBL3772999 0.81 GRIN2D (0.58) POLBRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL8201608 0.81 POLB (0.55) POLBRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL9725099 0.81 LMNA (0.59) POLBF13A1TGM2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100303805-A1 IDENTIFICATION OF SMALL MOLECULES RECOGNIZED BY ANTIBODIES IN SUBJECTS WITH NEURODEGENERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-12-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 POLB 1946/4885F13A1 4865/4885TGM2 595/4885
US-20100303805-A1 IDENTIFICATION OF SMALL MOLECULES RECOGNIZED BY ANTIBODIES IN SUBJECTS WITH NEURODEGENERATIVE DISEASES PARK7, CLN6, NLN POLB 2142/4885F13A1 1196/4885TGM2 408/4885

“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.