SCHEMBL5801167

SCHEMBL5801167

CC(NC(=N)N)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.35
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
TAS1R2 Q8TE23 3/20 0.34
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 2/20 0.32
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31

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
Water SCHEMBL5144834 0.97 CYP3A4 (0.34) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL16206286 0.81 CYP3A4 (0.32) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL6562346 0.79 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19ALDH1A1TAS1R3
SCHEMBL12497935 0.77
SCHEMBL22508527 0.74 CYP3A4 (0.35) CYP3A4CYP2C9CYP2C19ALDH1A1TAS1R3
SCHEMBL4850022 0.74 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL25126121 0.72
SCHEMBL22604080 0.72
SCHEMBL27859504 0.72 NOS3 (0.33) TAS1R3TAS1R1TAS1R2NOS1NOS3
SCHEMBL27791251 0.72

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
EP-0354553-A2 Aryl cyanoguanidines: potassium channel activators and method of making same E.R. SQUIBB & SONS, INC. (US) 1990-02-14 EP claimed
US-20210379091-A1 USE OF CATIONIC STEROIDAL ANTIMICROBIAL COMPOUNDS TO DEACTIVATE CORONAVIRUS BRIGHAM YOUNG UNIVERSITY (US) 2021-12-09 US disclosed
US-9867836-B2 Lavage and/or infusion using CSA compounds for increasing fertility in a mammal BRIGHAM YOUNG UNIVERSITY (US) 2018-01-16 US disclosed
US-9686966-B2 Methods and apparatus for cleaning or disinfecting a water delivery system BRIGHAM YOUNG UNIVERSITY (US) 2017-06-27 US disclosed
WO-2006088798-A2 MODULATION OF HYPOTHALAMIC ATP-SENSITIVE POTASSIUM CHANNELS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2006-08-24 WO disclosed
EP-0354553-A2 Aryl cyanoguanidines: potassium channel activators and method of making same E.R. SQUIBB & SONS, INC. (US) 1990-02-14 EP 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-20210379091-A1 USE OF CATIONIC STEROIDAL ANTIMICROBIAL COMPOUNDS TO DEACTIVATE CORONAVIRUS CD14, CCL5, MIF CYP3A4 348/4885CYP2C9 464/4885CYP2C19 92/4885

“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.