SCHEMBL3072659

SCHEMBL3072659

N=C(N)NCCCCCCCCNC(=N)N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 1/20 0.67
CYP1A2 P05177 1/20 0.67
KMT2A Q03164 1/20 0.67
ALOX15 P16050 1/20 0.54
HIF1A Q16665 2/20 0.40
ALB P02768 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SPHK1 Q9NYA1 3/20 0.37
PAOX Q6QHF9 2/20 0.37
PRSS1 P07477 4/20 0.37
F2 P00734 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TMPRSS6 Q8IU80 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
ALDH1A2 O94788 1/20 0.35

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
Synthalin SCHEMBL336302 1.00 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL434733 1.00 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL1923256 1.00 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL11882788 1.00 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL10728151 1.00 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL3069140 1.00 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
Hydrochloric Acid SCHEMBL7146690 0.97 SMN1; SMN2 (0.64) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
Hydrochloric Acid SCHEMBL21715464 0.97 SMN1; SMN2 (0.64) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
Hydrochloric Acid SCHEMBL19994028 0.97 SMN1; SMN2 (0.64) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
Synthalin SCHEMBL27953128 0.97 SMN1; SMN2 (0.64) SMN1; SMN2MEN1CYP1A2KMT2AALOX15

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4659739-A LOW PHYTOTOXICITY DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-04-21 US claimed
EP-0155509-A1 Agricultural and horticultural guanidine-type fungicide and process for production thereof DAINIPPON INK AND CHEMICALS, INC. (JP) 1985-09-25 EP claimed
CN-115901997-A Method for determining residue of trioctylphenylsulfonate biguanide in fruit and vegetable tea 梧州学院 2023-04-04 CN disclosed
US-20210253511-A1 COMPOUNDS AND USES FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS ASSOCIATE WITH OR AGGREVATED BY IMPARED MITOPHAGY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2021-08-19 US disclosed
US-20210253511-A1 COMPOUNDS AND USES FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS ASSOCIATE WITH OR AGGREVATED BY IMPARED MITOPHAGY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2021-08-19 US disclosed
WO-2019175873-A1 COMPOUNDS AND USES FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS ASSOCIATE WITH OR AGGRAVATED BY IMPARED MITOPHAGY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2019-09-19 WO disclosed
WO-2019175873-A1 COMPOUNDS AND USES FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS ASSOCIATE WITH OR AGGRAVATED BY IMPARED MITOPHAGY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2019-09-19 WO disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-7789917-B2 Amphoteric stilbene composition HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
WO-1993014063-A1 FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-22 WO disclosed
EP-0381330-A1 Fungicides ZENECA LIMITED (GB) 1990-08-08 EP disclosed
WO-1990000169-A1 AMINO KETALS, THEIR PREPARATION, AND THEIR USE AS FUNGICIDES CHEMINOVA AGRO A/S (DK) 1990-01-11 WO disclosed
US-4835170-A APPLYING SYNERGISTIC MIXTURE OF FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-05-30 US disclosed
EP-0253498-A2 Tertiary amine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP disclosed
US-4659739-A LOW PHYTOTOXICITY DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-04-21 US disclosed
EP-0155509-A1 Agricultural and horticultural guanidine-type fungicide and process for production thereof DAINIPPON INK AND CHEMICALS, INC. (JP) 1985-09-25 EP disclosed
US-4231789-A APPLYING AN ALKYLENEDIAMINE OKII MITSUYOSHI 1980-11-04 US disclosed
US-3890446-A Certain diguanidino compounds used as fungicides MURPHY CHEMICAL LTD (GB) 1975-06-17 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-20210253511-A1 COMPOUNDS AND USES FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS ASSOCIATE WITH OR AGGREVATED BY IMPARED MITOPHAGY PINK1, BECN1, MFN2 SMN1; SMN2 219/4885MEN1 3658/4885CYP1A2 4085/4885

“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.